1,2,3,3a,4,6a-Hexahydropentalene
Basic information
- CAS
5549-09-7- Standard SMILES
C1=CC2CCCC2C1- InChIKey
KEHFJHPSOFFXBO-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Overview
Bicyclo[3.3.0]oct-2-ene is a carbobicyclic compound consisting of two ortho-fused cyclopentane rings and containing one double bond located at position 2. It is a polycyclic olefin and a carbobicyclic compound.
Names & identifiers
- Preferred name
- 1,2,3,3a,4,6a-Hexahydropentalene
- IUPAC
- 1,2,3,3a,4,6a-hexahydropentalene
- English name
- 1,2,3,3a,4,6a-Hexahydropentalene
- Molecular formula
- C8H12
- Molecular weight
- 0
Names & synonyms
1,2,3,3a,4,6a-Hexahydropentalene5549-09-7DTXSID80918790RefChem:1051882DTXCID801347734226-913-6Pentalene, 1,2,3,3a,4,6a-hexahydro-cis-Bicyclo[3.3.0]-2-octenecis-Bicyclo[3.3.0]oct-2-eneEINECS 226-913-6SCHEMBL38647SCHEMBL5062572
Show more names
Bicyclo[3.3.0]oct-2-ene
SCHEMBL5065607SCHEMBL5066474SCHEMBL14351755SCHEMBL14352102SCHEMBL14352126SCHEMBL14352518SCHEMBL143528021,2,3,3a,4,6a-Hexahydropentalene #
Database identifiers
- CAS
5549-09-7- PubChem CID
- 79127
- DTXSID
DTXSID80918790- ChEBI
CHEBI:77361- EC Number
- 226-913-6
- Nikkaji
- J123.993G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- FDA UNII
- 85 GZ83JGX · V85GZ83JGX
Chemistry & industry
Additional notes
DefinitionChEBI: A carbobicyclic compound consisting of two ortho-fused cyclopentane rings and containing one double bond located at position 2.
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Compound notes
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