Basic information
- CAS
6946-45-8- Standard SMILES
CCC(=O)OC1CCCC(OC(=O)CC)C1- InChIKey
GKFARIMGPCTUAY-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Cyclohexane-1,3-diyl dipropanoate
- IUPAC
- (3-propanoyloxycyclohexyl) propanoate
Names & synonyms
6946-45-8cyclohexane-1,3-diyl dipropanoate(3-propanoyloxycyclohexyl)propanoateNSC57321DTXSID60288685NSC-57321
Database identifiers
- CAS
6946-45-8- PubChem CID
- 245372
- DTXSID
DTXSID60288685
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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