Cyclooct-4-en-1-yl valerate
Basic information
- CAS
93964-69-3- Standard SMILES
CCCCC(=O)OC1CC/C=C\CCC1- InChIKey
WIJXCQOLWPIWPZ-PLNGDYQASA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- Cyclooct-4-en-1-yl valerate
- IUPAC
- [(4Z)-cyclooct-4-en-1-yl] pentanoate
- English name
- cyclooct-4-en-1-yl valerate
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31258
Names & synonyms
Cyclooct-4-en-1-yl valerateEINECS 300-915-893964-69-34-Cycloocten-1-yl pentanoateDTXSID901308648(4Z)-CYCLOOCT-4-EN-1-YL PENTANOATEPentanoic acid 4-cyclooctenyl ester
Database identifiers
- CAS
93964-69-3- PubChem CID
- 6366333
- DTXSID
DTXSID901308648- EC Number
- 300-915-8
- Nikkaji
- J367.819I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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