CAS No.: 830-13-7 — Cyclododecanone (环十二酮)

1. Primary Information

English name:	Cyclododecanone
CAS No.:	830-13-7
Molecular formula:	C₁₂H₂₂O
Molecular weight:	182.30 g/mol
SMILES:	C1CCCCCC(=O)CCCCC1
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	98%	496	RT	in stock	-
Kehua Intelligence	25g	98%	560	RT	in stock	-
Kehua Intelligence	100g	98%	2080	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 35 0 0 0 0 0 0 0999 V2000 -2.5521 0.4406 1.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 -0.9026 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.6070 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 0.5011 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6029 -1.7809 -0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 1.5787 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 -2.0911 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 1.6524 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -1.8915 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 1.9881 -0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 -0.4817 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5886 1.9766 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 0.6170 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 -0.8380 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 -1.5413 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5109 -1.0600 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 -2.5981 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1161 0.4468 -1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 0.8373 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8089 -2.5853 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4677 -0.8772 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 2.5550 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 1.4582 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7364 -1.4719 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 -3.1302 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 2.4332 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 0.7254 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 -2.1503 0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 -2.6053 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 1.2992 -1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 2.9873 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 -0.4243 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.2791 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 2.2936 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8209 2.6976 0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

cyclododecanone

4.2 InChI

InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2

4.3 InChIKey

SXVPOSFURRDKBO-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CCCCCC(=O)CCCCC1

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

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)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)