Basic information
- CAS
72258-29-8- Standard SMILES
CCCCCCCCCCCCOC(=O)[C@H]1C[C@H](CCCCCCCC(=O)O)C=C[C@H]1CCCCCC- InChIKey
IUGCSZUKBPGZQE-OLUZHXLYSA-N- Molecular formula
- C33H60O4
- Average molar mass
- 520.8 g/mol
- Monoisotopic mass
- 520.44916039
Names & identifiers
- Preferred name
- 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester
- IUPAC
- 8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexylcyclohex-2-en-1-yl]octanoic acid
Names & synonyms
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester72258-29-8RefChem:86610
Database identifiers
- CAS
72258-29-8- PubChem CID
- 3085773
Properties
Computed structural properties
- XLogP
- 12.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 585
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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