trans-4-(2-Hydroxy-1-methylethyl)cyclohexanecarboxylic acid
Basic information
- CAS
183996-97-6- Standard SMILES
CC(CO)C1CCC(C(=O)O)CC1- InChIKey
DBKYMDMTOGOQSR-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- trans-4-(2-Hydroxy-1-methylethyl)cyclohexanecarboxylic acid
- IUPAC
- 4-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
Names & synonyms
DTXSID901187971trans-4-(2-Hydroxy-1-methylethyl)cyclohexanecarboxylic acid(1S,4r)-4-[(2S)-1-Hydroxypropan-2-yl]cyclohexane-1-carboxylic acid183996-97-6
Database identifiers
- CAS
183996-97-6- PubChem CID
- 85703534
- DTXSID
DTXSID901187971
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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