Cas no 118628-94-7 (3,7,11-Cyclotetradecatrien-1-one,3,7,11-trimethyl-14-(1-methylethenyl)-, (3E,7E,11E,14S)-)
118628-94-7 structure
Product Name:3,7,11-Cyclotetradecatrien-1-one,3,7,11-trimethyl-14-(1-methylethenyl)-, (3E,7E,11E,14S)-
CAS No:118628-94-7
MF:C20H30O
MW:286.451606273651
CID:190931
PubChem ID:6443383
Update Time:2025-04-19
3,7,11-Cyclotetradecatrien-1-one,3,7,11-trimethyl-14-(1-methylethenyl)-, (3E,7E,11E,14S)- Chemical and Physical Properties
Names and Identifiers
-
- 3,7,11-Cyclotetradecatrien-1-one,3,7,11-trimethyl-14-(1-methylethenyl)-, (3E,7E,11E,14S)-
- (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one
- 118628-94-7
- 3,7,11-Cyclotetradecatrien-1-one, 3,7,11-trimethyl-14-(1-methylethenyl)-, (S-(E,E,E))-
- Sinularone A
-
- Inchi： 1S/C20H30O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-12,19H,1,6-7,9-10,13-14H2,2-5H3/b16-8-,17-12+,18-11-/t19-/m0/s1
- InChI Key： FHFFESCITRPPTG-XECYNXTNSA-N
- SMILES： O=C1CC(C)=CCCC(C)=CCCC(C)=CC[C@H]1C(=C)C |c:4,9,t:14|
Computed Properties
- Exact Mass: 286.229665576g/mol
- Monoisotopic Mass: 286.229665576g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 474
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 17.1?2
3,7,11-Cyclotetradecatrien-1-one,3,7,11-trimethyl-14-(1-methylethenyl)-, (3E,7E,11E,14S)- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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