Basic information
- CAS
18252-44-3- Standard SMILES
C=C1CCC2C3[C@H](C(C)C)CC[C@@]2(C)[C@H]13- InChIKey
UPVZPMJSRSWJHQ-HTXSYXIBSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
See also: beta-Copaene (annotation moved to).
Names & identifiers
- Preferred name
- cis-beta-Copaene
- IUPAC
- (1R,2S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
- English name
- Tricyclo[4.4.0.02,7]decane,1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-rel-
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
cis-beta-CopaeneRefChem:1081951(1R,2S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo(4.4.0.02,7)decane.beta.-CopaeneTricyclo(4.4.0.0(2,7))decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomerTricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer18252-44-3cis-.beta.-Copaene(-)-|A-Copaene(+/-)-beta-Copaene(.+/-.)-.beta.-CopaeneSCHEMBL17627658
Show more names
(±)-beta-Copaene(±)-beta-CopaeneTricyclo[4.4.0.02,7]decane,1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-rel-
(1R,2S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decane-rel-UPVZPMJSRSWJHQ-HTXSYXIBSA-NTricyclo[4.4.0.02,7]decane, 8-isopropyl-1-methyl-3-methylene-, anti-8-(1R,2S,8S)-1-Methyl-3-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0~2,7~]decaneTricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomerTricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-rel-
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 255.9 · 255.9±7.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- LogP
- 6.128 · 6.128 (est)
- FDA UNII
- 76373 XC · FDX76373XC
Chemistry & industry
Suppliers1 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…