Cyclohexaneacetic acid, 1-hydroxy-, butyl ester
Basic information
- CAS
6946-48-1- Standard SMILES
CCCCOC(=O)CC1(O)CCCCC1- InChIKey
RZHRDWRQAUGJTB-UHFFFAOYSA-N- Molecular formula
- C12H22O3
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.15689456
Names & identifiers
- Preferred name
- Cyclohexaneacetic acid, 1-hydroxy-, butyl ester
- IUPAC
- butyl 2-(1-hydroxycyclohexyl)acetate
Names & synonyms
NSC573256946-48-1Cyclohexaneacetic acid, 1-hydroxy-, butyl esterDTXSID80288687Butyl (1-hydroxycyclohexyl)acetateNSC-57325DS-010660
Database identifiers
- CAS
6946-48-1- PubChem CID
- 245376
- DTXSID
DTXSID80288687- Nikkaji
- J2.948.680H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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