Basic information
- CAS
100386-17-2- Standard SMILES
CCCCCCCCOC(=O)C(C)(C)O- InChIKey
MRMFDCMEHASSBE-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- Octyl 2-hydroxy-2-methylpropanoate
- IUPAC
- octyl 2-hydroxy-2-methylpropanoate
Names & synonyms
octyl 2-hydroxy-2-methylpropanoate100386-17-2Propanoic acid, 2-hydroxy-2-methyl-, octyl esterNSC68008SCHEMBL23581545DTXSID40290322NSC-68008
Database identifiers
- CAS
100386-17-2- PubChem CID
- 249574
- DTXSID
DTXSID40290322- Nikkaji
- J2.245.512E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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