2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester
8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexylcyclohex-2-en-1-yl]octanoic acid
Also Known As: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester|8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexylcyclohex-2-en-1-yl]octanoic acid
CAS: 72258-29-8
| Molecular Formula | C33H60O4 |
|---|---|
| Molecular Weight | 520.44916 g/mol |
| LogP | 10.0447 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 25 |
| Exact Mass | 520.44916 |
| Monoisotopic Mass | 520.44916 |
| Heavy Atoms | 37 |
| Complexity | 584.87213 |
Chemical Identifiers
| CAS Number | 72258-29-8 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)[C@H]1C[C@@H](C=C[C@H]1CCCCCC)CCCCCCCC(=O)O |
Product Overview
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester (CAS 72258-29-8), with molecular formula C33H60O4 and molecular weight 520.44916 g/mol. IUPAC: 8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexylcyclohex-2-en-1-yl]octanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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