Basic information
- CAS
554-59-6- Standard SMILES
CC1CCC2C(C1)C2(C)C- InChIKey
BWRHOYDPVJPXMF-UHFFFAOYSA-N- Molecular formula
- C10H18
- Average molar mass
- 138.25 g/mol
- Monoisotopic mass
- 138.14085057
Overview
Carane is a carbobicyclic compound that is bicyclo[4.1.0]heptane substituted by methyl groups at positions 3, 7 and 7. It is a monoterpene, a terpenoid fundamental parent and a carbobicyclic compound.
Names & identifiers
- Preferred name
- Carane
- IUPAC
- 3,7,7-trimethylbicyclo[4.1.0]heptane
- English name
- carane
- Molecular formula
- C10H18
- Molecular weight
- 138.25
Names & synonyms
Carane3,7,7-Trimethylbicyclo[4.1.0]heptane554-59-6Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-CHEBI:35663DTXSID10858852Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-3,7,7-trimethylbicyclo(4.1.0)heptaneRefChem:123355DTXCID408095943,7,7-trimethylbicyclo(4.1.0)heptane;carane(-)-cis-Carane
Show more names
Carane【terpenoid】
cis-caraneCarane skeleton3,7,7-Trimethylbicyclo[4.1.0]heptane #AI3-289603,7,7-TrimethylnorcaraneSCHEMBL8893SCHEMBL342356SCHEMBL7436315
Database identifiers
- CAS
554-59-6- PubChem CID
- 79043
- DTXSID
DTXSID10858852- ChEBI
CHEBI:35663- Nikkaji
- J14.266B
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
- 10
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesDensity
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 165 · 165-166 °C(Press: 750 Torr)
- Density
- 0.8381 g/cm3 · 0.8381 g/cm3
Chemistry & industry
Additional notes
DefinitionChEBI: A carbobicyclic compound that is bicyclo[4.1.0]heptane substituted by methyl groups at positions 3, 7 and 7.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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