2-Hexylcyclopent-2-en-1-ol
Basic information
- CAS
56239-91-9- Standard SMILES
CCCCCCC1=CCCC1O- InChIKey
VESRTLCRBMYPCA-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 2-Hexylcyclopent-2-en-1-ol
- IUPAC
- 2-hexylcyclopent-2-en-1-ol
- English name
- 2-hexylcyclopent-2-en-1-ol
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
2-Hexylcyclopent-2-en-1-ol56239-91-9EINECS 260-074-7SCHEMBL7112580DTXSID50971670VESRTLCRBMYPCA-UHFFFAOYSA-NDB-251515NS000547502-Hexyl-2-cyclopenten-1-ol2-Cyclopenten-1-ol, 2-hexyl-
Database identifiers
- CAS
56239-91-9- PubChem CID
- 92074
- DTXSID
DTXSID50971670- EC Number
- 260-074-7
- Nikkaji
- J296.619K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 253.8 · 253.8±19.0 °C(Predicted)
- Density
- 0.931 · 0.931±0.06 g/cm3(Predicted)
- pka
- 14.73 · 14.73±0.40(Predicted)
- LogP
- 3.46 · 3.460 (est)
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Related reactions
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Compound notes
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