Basic information
- CAS
93964-70-6- Standard SMILES
CC(C)CC(=O)OC1CC/C=C\CCC1- InChIKey
NOCIMGBKIKPXQV-ARJAWSKDSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- 4-Cycloocten-1-yl isovalerate
- IUPAC
- [(4Z)-cyclooct-4-en-1-yl] 3-methylbutanoate
- English name
- 4-cycloocten-1-yl isovalerate
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31258
Names & synonyms
4-Cycloocten-1-yl isovalerate93964-70-6EINECS 300-916-3NOCIMGBKIKPXQV-ARJAWSKDSA-NDTXSID7012929204-Cycloocten-1-yl 3-methylbutanoate(4Z)-CYCLOOCT-4-EN-1-YL 3-METHYLBUTANOATE3-Methylbutanoic acid 4-cyclooctenyl ester
Database identifiers
- CAS
93964-70-6- PubChem CID
- 6366334
- DTXSID
DTXSID701292920- EC Number
- 300-916-3
- Nikkaji
- J367.820B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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