Basic information
- CAS
11052-97-4- Standard SMILES
CC1CCC2(C(C)C)CC12- InChIKey
GCTNBVHDRFKLLK-UHFFFAOYSA-N- Molecular formula
- C10H18
- Average molar mass
- 138.25 g/mol
- Monoisotopic mass
- 138.14085057
Overview
Thujane is a monoterpene and a terpenoid fundamental parent.
Names & identifiers
- Preferred name
- Thujane
- IUPAC
- 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
- English name
- thujane
- Molecular formula
- C10H18
- Molecular weight
- 138.25
Names & synonyms
Thujane471-12-54-methyl-1-propan-2-ylbicyclo[3.1.0]hexaneCHEBI:35709DTXSID302757694-methyl-1-propan-2-ylbicyclo(3.1.0)hexaneRefChem:933026DTXCID802271524-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexane;thujaneDihydrosabinene4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane
Show more names
Sabinane
1-Isopropyl-4-methylbicyclo[3.1.0]hexaneThujane skeleton11052-97-4Sabinane (cis)SCHEMBL8346Bicyclo[3.1.0]hexane, 4-methyl-1-(1-methylethyl)-SCHEMBL2767889SCHEMBL3848494
Database identifiers
- CAS
11052-97-4、471-12-5- PubChem CID
- 79017
- DTXSID
DTXSID30275769- ChEBI
CHEBI:35709- Nikkaji
- J1.206H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 188.7 °C · 188.7°C (rough estimate)
- Density
- 0.8139 · 0.8139
- refractive index
- 1.4376 · 1.4376
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: Thujane is a terpenoid fundamental parent and a monoterpene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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