Basic information
- Standard SMILES
CC(=O)O[C@@H]1C=C[C@H](OC2CCCCO2)C1- InChIKey
CMRVFMLNWHLDBN-UBNQGINQSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- (+)-Acetic acid cis-4-(tetrahydro-pyran-2-yloxy)-cyclopent-2-enyl ester
- IUPAC
- [(1S,4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-yl] acetate
Names & synonyms
CMRVFMLNWHLDBN-UBNQGINQSA-N(+)-acetic acid cis-4-(tetrahydro-pyran-2-yloxy)-cyclopent-2-enyl ester(-)-acetic acid cis-4-(tetrahydro-pyran-2-yloxy)-cyclopent-2-enyl ester
Database identifiers
- PubChem CID
- 13623284
- Nikkaji
- J821.540E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
8 records
Linked notes
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