2-(1-Cyclohexen-1-yl)hexanoic acid
Basic information
- CAS
72474-07-8- Standard SMILES
CCCCC(C(=O)O)C1=CCCCC1- InChIKey
ZTXTUIUYIXIUQV-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 2-(1-Cyclohexen-1-yl)hexanoic acid
- IUPAC
- 2-(cyclohexen-1-yl)hexanoic acid
- English name
- 2-(1-Cyclohexen-1-yl)hexanoic acid
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
2-(1-Cyclohexen-1-yl)hexanoic acid72474-07-8NSC49157NSC 491572-(cyclohexen-1-yl)hexanoic acidSCHEMBL10955001NSC-491571-Cyclohexene-1-acetic acid, α-butyl-
Database identifiers
- CAS
72474-07-8- PubChem CID
- 241595
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 156 °C · 156 °C(Press: 7 Torr)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 4.97 · 4.97±0.21(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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