2,2-Dimethylpentyl 2-methylpropanoate
Basic information
- CAS
5458-25-3- Standard SMILES
CCCC(C)(C)COC(=O)C(C)C- InChIKey
MZDAMTAEZINYBF-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- 2,2-Dimethylpentyl 2-methylpropanoate
- IUPAC
- 2,2-dimethylpentyl 2-methylpropanoate
- English name
- 2,2-dimethylpentyl 2-methylpropanoate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
5458-25-32,2-dimethylpentyl 2-methylpropanoateNSC23539SCHEMBL12044661DTXSID60281939NSC-23539Propanoic acid, 2-methyl-, 2,2-dimethylpentyl ester
Database identifiers
- CAS
5458-25-3- PubChem CID
- 229700
- DTXSID
DTXSID60281939
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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