Basic information
- CAS
5452-38-0- Standard SMILES
CCOC(=O)C(C(=O)OCC)(c1ccccc1)C1CCCCCC1- InChIKey
SYOQJSJNDZZPHI-UHFFFAOYSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Names & identifiers
- Preferred name
- Diethyl 2-cycloheptyl-2-phenylpropanedioate
- IUPAC
- diethyl 2-cycloheptyl-2-phenylpropanedioate
Names & synonyms
5452-38-0NSC 19016diethyl 2-cycloheptyl-2-phenylpropanedioateNSC19016DTXSID50328307NSC-19016Diethyl cycloheptyl(phenyl)propanedioate
Database identifiers
- CAS
5452-38-0- PubChem CID
- 409159
- DTXSID
DTXSID50328307
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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