3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
59 58 0 1 0 0 0 0 0999 V2000
-2.7698 1.8597 -1.0568 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1837 2.1357 1.3257 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6006 2.4082 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9265 2.8247 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2301 2.2689 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5609 0.3748 -1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3616 0.6111 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5416 -0.6189 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 0.1511 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4042 -2.0791 -0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5970 -1.3704 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0819 2.0774 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4058 2.7867 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4014 -3.0782 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7550 -1.8331 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6990 -2.9399 1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2017 -2.8887 1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -1.2050 -2.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1272 -1.4850 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8185 2.4325 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3226 2.3085 1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5918 1.9069 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7827 3.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 3.8903 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8378 2.7946 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0131 1.2282 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2519 2.8144 -1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6559 0.2503 -2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3848 0.0849 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5064 0.1803 2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4322 0.1691 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7230 -0.3600 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4722 -0.5007 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4621 0.5156 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 0.6185 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4765 -2.1969 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2272 -2.3280 -1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -1.8405 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6496 -1.7294 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0559 1.6382 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2793 3.1486 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9260 1.6430 -0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6378 2.2990 2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2105 3.8445 2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2943 2.7332 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 -4.0900 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6871 -2.9235 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7907 -3.7719 1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7342 -2.0175 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5751 -2.9702 0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2646 -2.9331 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1746 -3.6848 2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2351 -1.9349 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8347 -0.1340 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3077 -1.6795 -2.8811 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5991 -1.3512 -2.5794 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2274 -1.8714 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9204 -1.9361 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3077 -0.4058 -0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 6 1 0 0 0 0
1 12 1 0 0 0 0
1 20 1 0 0 0 0
2 4 1 0 0 0 0
2 7 1 0 0 0 0
2 13 1 0 0 0 0
2 21 1 0 0 0 0
3 5 1 0 0 0 0
3 22 1 0 0 0 0
3 23 1 0 0 0 0
4 5 1 0 0 0 0
4 24 1 0 0 0 0
4 25 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
6 8 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 9 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 10 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 11 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 14 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 15 1 0 0 0 0
11 38 1 0 0 0 0
11 39 1 0 0 0 0
12 40 1 0 0 0 0
12 41 1 0 0 0 0
12 42 1 0 0 0 0
13 43 1 0 0 0 0
13 44 1 0 0 0 0
13 45 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
14 46 1 0 0 0 0
15 18 1 0 0 0 0
15 19 1 0 0 0 0
15 47 1 0 0 0 0
16 48 1 0 0 0 0
16 49 1 0 0 0 0
16 50 1 0 0 0 0
17 51 1 0 0 0 0
17 52 1 0 0 0 0
17 53 1 0 0 0 0
18 54 1 0 0 0 0
18 55 1 0 0 0 0
18 56 1 0 0 0 0
19 57 1 0 0 0 0
19 58 1 0 0 0 0
19 59 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,6,10,14-tetramethylpentadecane
4.2 InChI
InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
4.3 InChIKey
XOJVVFBFDXDTEG-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C
4.5 Isomeric SMILES
-
4.6 SDF file
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
5.4 Infrared spectroscopy (IR)
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
