Basic information
- CAS
5333-60-8- Standard SMILES
CCOC(=O)c1ccccc1C(=O)OC1CCCCC1- InChIKey
BNTNXFQAIVBINE-UHFFFAOYSA-N- Molecular formula
- C16H20O4
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.13615911
Names & identifiers
- Preferred name
- Phthalic acid, cyclohexyl ethyl ester
- IUPAC
- 2-O-cyclohexyl 1-O-ethyl benzene-1,2-dicarboxylate
Names & synonyms
Phthalic acid, cyclohexyl ethyl ester5333-60-8SCHEMBL4597811DTXSID10967933NSC2429BNTNXFQAIVBINE-UHFFFAOYSA-NNSC-2429Cyclohexyl ethyl benzene-1,2-dicarboxylate
Database identifiers
- CAS
5333-60-8- PubChem CID
- 220134
- DTXSID
DTXSID10967933
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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