Cas no 62266-64-2 (3-Cyclohexene-1-carboxylic acid, 6-methyl-, docosyl ester)
62266-64-2 structure
Product Name:3-Cyclohexene-1-carboxylic acid, 6-methyl-, docosyl ester
CAS No:62266-64-2
MF:C30H56O2
MW:448.764450073242
CID:451802
PubChem ID:71388123
Update Time:2025-04-19
3-Cyclohexene-1-carboxylic acid, 6-methyl-, docosyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxylic acid, 6-methyl-, docosyl ester
- docosyl 6-methylcyclohex-3-ene-1-carboxylate
- DTXSID30810199
- 62266-64-2
-
- Inchi： 1S/C30H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-32-30(31)29-26-23-22-25-28(29)2/h22-23,28-29H,3-21,24-27H2,1-2H3
- InChI Key： WWKRXPSGLKIRQW-UHFFFAOYSA-N
- SMILES： O(CCCCCCCCCCCCCCCCCCCCCC)C(C1CC=CCC1C)=O
Computed Properties
- Exact Mass: 448.42828
- Monoisotopic Mass: 448.42803102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 23
- Complexity: 442
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Cyclohexene-1-carboxylic acid, 6-methyl-, docosyl ester Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
62266-64-2 (3-Cyclohexene-1-carboxylic acid, 6-methyl-, docosyl ester) Related Products
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- 935-79-5((3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione)
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