4-(Ethoxycarbonyl)cyclohexane-1-carboxylate
Basic information
- CAS
114478-93-2- Standard SMILES
CCOC(=O)C1CCC(C(=O)[O-])CC1- InChIKey
FAFFYFMLKGDSEQ-UHFFFAOYSA-M- Molecular formula
- C10H15O4-
- Average molar mass
- 199.22 g/mol
- Monoisotopic mass
- 199.09703396
Names & identifiers
- Preferred name
- 4-(Ethoxycarbonyl)cyclohexane-1-carboxylate
- IUPAC
- 4-ethoxycarbonylcyclohexane-1-carboxylate
Names & synonyms
114478-93-2DTXSID306015294-(Ethoxycarbonyl)cyclohexane-1-carboxylateRefChem:288990DTXCID505522861,4-Cyclohexanedicarboxylic acid, 1-ethyl ester
Database identifiers
- CAS
114478-93-2- PubChem CID
- 19964201
- DTXSID
DTXSID30601529
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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