alpha-Acoradiene
Basic information
- CAS
24048-44-0- Standard SMILES
C=C(C)[C@@H]1CC[C@@H](C)[C@]12CC=C(C)CC2- InChIKey
DVBSKQAFCDJNSL-QLFBSQMISA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
1,8-dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene has been reported in Thujopsis dolabrata, Cistus monspeliensis, and other organisms with data available.
Names & identifiers
- Preferred name
- alpha-Acoradiene
- IUPAC
- (1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
- English name
- (1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
alpha-Acoradiene24048-44-0RefChem:1076436(1S)-1,8-dimethyl-4-propan-2-ylspiro(4.5)deca-3,9-dieneCHEBI:172926Acoradiene1,8-Dimethyl-4-(1-methylethenyl)-spiro(4,5)dec-7-ene (1R-(1alpha,4beta,5beta))-Spiro(4,5)dec-7-ene, 1,8-dimethyl-4-(1-methylethenyl)-, (1R-(1alpha,4beta,5beta))-(1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene1,8-DIMETHYL-4-(PROP-1-EN-2-YL)SPIRO[4.5]DEC-7-ENESCHEMBL28862333DTXSID60946894
Show more names
1,8-Dimethyl-4-isopropenylspiro[4.5]dec-7-ene(1R,4S,5S)-1,8-Dimethyl-4-(1-methylethenyl)spiro[4.5]dec-7-eneSpiro[4.5]dec-7-ene, 1,8-dimethyl-4-(1-methylethenyl)-, (1R,4S,5S)-
DVBSKQAFCDJNSL-QLFBSQMISA-N1,8-dimethyl-4-(1-methylethenyl)spiro(4.5)dec-7-ene(1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene
Database identifiers
- CAS
24048-44-0- PubChem CID
- 90351
- DTXSID
DTXSID60946894- Nikkaji
- J16.738J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 273.1 · 273.1±20.0 °C(Predicted)
- Density
- 0.89 · 0.89±0.1 g/cm3(Predicted)
- LogP
- 6.311 · 6.311 (est)
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Related reactions
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Compound notes
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