Ethyl 2-oxo-1-(phenylmethoxymethyl)cyclohexane-1-carboxylate
Basic information
- CAS
36370-29-3- Standard SMILES
CCOC(=O)C1(COCc2ccccc2)CCCCC1=O- InChIKey
ZTUKXMQEJTWVFM-UHFFFAOYSA-N- Molecular formula
- C17H22O4
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.15180918
Names & identifiers
- Preferred name
- Ethyl 2-oxo-1-(phenylmethoxymethyl)cyclohexane-1-carboxylate
- IUPAC
- ethyl 2-oxo-1-(phenylmethoxymethyl)cyclohexane-1-carboxylate
Names & synonyms
MLS00311530236370-29-3NSC249251CHEMBL2142127DTXSID20312056NSC-249251SMR001830882DS-000944ETHYL 1-[(BENZYLOXY)METHYL]-2-OXOCYCLOHEXANE-1-CARBOXYLATECYCLOHEXANECARBOXYLICACID, 2-OXO-1-[(PHENYLMETHOXY)METHYL]-, ETHYL ESTER
Database identifiers
- CAS
36370-29-3- PubChem CID
- 317451
- DTXSID
DTXSID20312056- ChEMBL
CHEMBL2142127
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
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Related reactions
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Compound notes
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