Basic information
- CAS
5458-24-2- Standard SMILES
CCCC(C)(C)COC(=O)CC- InChIKey
GYTWMXOBIGZQRS-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 2,2-Dimethylpentyl propanoate
- IUPAC
- 2,2-dimethylpentyl propanoate
Names & synonyms
5458-24-22,2-dimethylpentyl propanoateNSC23537SCHEMBL12628468DTXSID40281937NSC-23537
Database identifiers
- CAS
5458-24-2- PubChem CID
- 229698
- DTXSID
DTXSID40281937
Properties
Computed structural properties
- XLogP
- 3.2
- 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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