Cas no 62720-03-0 (Oxirane, 2-decyl-3-(5-methylheptyl)-, cis-)
62720-03-0 structure
Product Name:Oxirane, 2-decyl-3-(5-methylheptyl)-, cis-
CAS No:62720-03-0
MF:C20H40O
MW:296.531006813049
CID:434182
PubChem ID:71383500
Update Time:2025-04-19
Oxirane, 2-decyl-3-(5-methylheptyl)-, cis- Chemical and Physical Properties
Names and Identifiers
-
- Oxirane, 2-decyl-3-(5-methylheptyl)-, cis-
- (2S,3R)-2-decyl-3-(5-methylheptyl)oxirane
- 62720-03-0
- DTXSID00805810
-
- Inchi： 1S/C20H40O/c1-4-6-7-8-9-10-11-12-16-19-20(21-19)17-14-13-15-18(3)5-2/h18-20H,4-17H2,1-3H3/t18?,19-,20+/m0/s1
- InChI Key： LKYWIGBSDIKOFS-NRRUETGQSA-N
- SMILES： O1[C@@H](CCCCCCCCCC)[C@H]1CCCCC(C)CC
Computed Properties
- Exact Mass: 296.3081
- Monoisotopic Mass: 296.307915895g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.7
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.53
Oxirane, 2-decyl-3-(5-methylheptyl)-, cis- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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