Basic information
- Standard SMILES
CCCCCC(Oc1ccc(C2=CCCCCCC2)cc1)C(=O)OCC- InChIKey
ZIRWWMMKSBIOGI-UHFFFAOYSA-N- Molecular formula
- C23H34O3
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.25079494
Names & identifiers
- Preferred name
- alpha-[p-(1-Cyclooctenyl)-phenoxy]-heptanoic acid ethyl ester
- IUPAC
- ethyl 2-[4-(cycloocten-1-yl)phenoxy]heptanoate
Names & synonyms
SCHEMBL11656182ZIRWWMMKSBIOGI-UHFFFAOYSA-Nalpha-[p-(1-cyclooctenyl)-phenoxy]-heptanoic acid ethyl ester
Database identifiers
- PubChem CID
- 54549182
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 421
Related reactions
4 records
Compound notes
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