Basic information
- CAS
19078-35-4- Standard SMILES
CC1CCC23C(C)CCC(CC12)C3(C)C- InChIKey
MVZZUMCHPFHUOS-UHFFFAOYSA-N- Molecular formula
- C15H26
- Average molar mass
- 206.37 g/mol
- Monoisotopic mass
- 206.20345083
Overview
Patchoulane is a sesquiterpenoid.
Names & identifiers
- Preferred name
- Patchoulane
- IUPAC
- 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undecane
- English name
- Octahydro-1,4,9,9-tetramethyl-1H-3a,7-methanoazulene
- Molecular formula
- C15H26
- Molecular weight
- 206.37
Names & synonyms
Patchoulane19078-35-41H-3a,7-Methanoazulene, octahydro-1,4,9,9-tetramethyl-25491-20-7RefChem:170165DTXCID10820079DTXSID50858836MVZZUMCHPFHUOS-UHFFFAOYSA-NPatchulane4,10,11,11-Tetramethyltricyclo[5.3.1.01,5]undecaneOCTAHYDRO-1,4,9,9-TETRAMETHYL-1H-3A,7-METHANOAZULENESCHEMBL2513045
Show more names
1,4,9,9-Tetramethyl-2,3,4,5,6,7,8,8a-octahydro-1H-3a,7-methanoazulenedihydro-cypereneDihydro-α-patchulen(3aS)-1,4t,9,9-tetramethyl-(8aξ)-octahydro-3ar,7c-methano-azulene
DTXSID20858828CHEBI:167348NS000961001,4,9,9-tetramethyloctahydro-1H-3a,7-methanoazulene
Database identifiers
- CAS
19078-35-4、25491-20-7- PubChem CID
- 29408
- DTXSID
DTXSID20858828- ChEBI
CHEBI:167348
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- EPA Substance Registry System
- 1 H-3a,7-Methanoazulene, · 1H-3a,7-Methanoazulene, octahydro-1,4,9,9-tetramethyl- (19078-35-4)
Chemistry & industry
Additional notes
DefinitionChEBI: Patchoulane is a sesquiterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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