Pentanoic acid, 1,1-dimethylpropyl ester
Basic information
- CAS
117421-32-6- Standard SMILES
CCCCC(=O)OC(C)(C)CC- InChIKey
HESXDTDXXBSJET-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- Pentanoic acid, 1,1-dimethylpropyl ester
- IUPAC
- 2-methylbutan-2-yl pentanoate
Names & synonyms
Pentanoic acid, 1,1-dimethylpropyl estertert-Pentyl pentanoate #SCHEMBL11509336DTXSID301020989117421-32-6
Database identifiers
- CAS
117421-32-6- PubChem CID
- 559101
- DTXSID
DTXSID301020989- Nikkaji
- J520.343K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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