Basic information
- CAS
6946-64-1- Standard SMILES
O=C(CC1(O)CCCCC1)OC1CCCC1- InChIKey
RABXJVNSGMBEBF-UHFFFAOYSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- Cyclopentyl (1-hydroxycyclohexyl)acetate
- IUPAC
- cyclopentyl 2-(1-hydroxycyclohexyl)acetate
Names & synonyms
cyclopentyl (1-hydroxycyclohexyl)acetateNSC57345MLS0026678716946-64-1NSC-57345NCIStruc1_000546NCIStruc2_000431CHEMBL1358105DTXSID30989359HMS3089F11NCI57345CCG-38271
Show more names
NCGC00013692NCGC00013692-02NCGC00096803-01NCI60_004401SMR001557628DS-000026
Database identifiers
- CAS
6946-64-1- PubChem CID
- 245396
- DTXSID
DTXSID30989359- ChEMBL
CHEMBL1358105
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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