Basic information
- CAS
72576-78-4- Standard SMILES
CCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C- InChIKey
MVUWRLHKGKEGSS-UHFFFAOYSA-N- Molecular formula
- C26H52O2
- Average molar mass
- 396.7 g/mol
- Monoisotopic mass
- 396.3967309
Names & identifiers
- Preferred name
- Isostearyl Octanoate
- IUPAC
- 16-methylheptadecyl octanoate
- English name
- ISOSTEARYL OCTANOATE
- Molecular weight
- 0
Names & synonyms
Isostearyl OctanoateSCHEMBL1173695MVUWRLHKGKEGSS-UHFFFAOYSA-N
Database identifiers
- CAS
72576-78-4- PubChem CID
- 11959731
- Nikkaji
- J3.742.056E
Properties
Computed structural properties
- XLogP
- 11.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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