Cas no 1207091-65-3 (beta-Farnesene)
beta-Farnesene structure
Product Name:beta-Farnesene
CAS No:1207091-65-3
MF:C15H24
MW:204.351064682007
CID:5082894
Update Time:2023-08-25
beta-Farnesene Chemical and Physical Properties
Names and Identifiers
-
- trans-beta-Farnesene
- (E)-beta-farnesene
- BETA-FARNESENE
- beta-trans-farnesene
- (6E)-beta-farnesene
- E5STW643HU
- b-farnesene
- beta-Farnesene
-
- Inchi： 1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
- InChI Key： JSNRRGGBADWTMC-NTCAYCPXSA-N
- SMILES： C(C/C=C(\C)/C)/C(/C)=C/CCC(=C)C=C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 260
- XLogP3: 6.2
- Topological Polar Surface Area: 0
beta-Farnesene Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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