Basic information
- CAS
13877-93-5- Standard SMILES
C=C1CCC=C(C)CCC2C1CC2(C)C- InChIKey
NPNUFJAVOOONJE-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- has been reported in Dimorphotheca sinuata, Cordia verbenacea, and other organisms with data available.
Names & identifiers
- Preferred name
- 4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene
- IUPAC
- 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
- English name
- caryophyllene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
DTXSID7085914313877-93-54,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-eneRefChem:10692064,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-eneDTXCID108096474,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-eneB-Caryophyllene FccBicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-EC-Caryophyllene(-)-(E)-Caryophyllene;(-)-beta-caryophyllene;(-)-trans-Caryophyllene(?)-|A-caryophyllene
Show more names
cis-caryophylleneBicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-
4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-enebeta-CARYOPHYLLENE, TECHorb1221705SCHEMBL4195147s6058AKOS030228124DB-057003DB-061346
Database identifiers
- CAS
13877-93-5- PubChem CID
- 26318
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 268.4 · 268.4±10.0 °C(Predicted)
- Density
- 0.89 · 0.89±0.1 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. sweet woody spice clove dry
- Odor Type
- spicy
- LogP
- 6.78 · 6.78
Chemistry & industry
Suppliers2 total
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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