Basic information
- CAS
1461-03-6- Standard SMILES
CC1=CC2C(=C(C)CCCC2(C)C)CC1- InChIKey
LCOSCMLXPAQCLQ-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
Beta-himachalene is a himachalene.
Names & identifiers
- Preferred name
- 3,5,5,9-Tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo(7)annulene
- IUPAC
- 3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene
Names & synonyms
3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annuleneDTXSID909327603,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo(7)annulene3,5,5,9-Tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo(7)annuleneRefChem:198093DTXCID7013614421461-03-61H-Benzocycloheptene, 2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (R)-SCHEMBL932988(6xi)-himachal-1(11),4-dieneLMPR0103480005
Show more names
Q2712153317928-54-0
Database identifiers
- CAS
1461-03-6- PubChem CID
- 15095
- DTXSID
DTXSID90932760- ChEBI
CHEBI:49210- Nikkaji
- J2.375.648J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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