Basic information
- Standard SMILES
C=CCC1(C(=O)OCC)CCC(O)CC1- InChIKey
PRDAPHHMHFGZBN-UHFFFAOYSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Names & identifiers
- Preferred name
- Ethyl 1-allyl-4-hydroxycyclohexanecarboxylate
- IUPAC
- ethyl 4-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
Names & synonyms
SCHEMBL1954548PRDAPHHMHFGZBN-UHFFFAOYSA-N1310479-06-1DB-113329ethyl 1-allyl-4-hydroxycyclohexanecarboxylate1-Allyl-4-hydroxy-cyclohexanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67225352
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
4 records
Compound notes
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