3-Ethyl-4-methylpentyl propanoate
Basic information
- CAS
68909-97-7- Standard SMILES
CCC(=O)OCCC(CC)C(C)C- InChIKey
VOPWQTKCEVSUOS-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- 3-Ethyl-4-methylpentyl propanoate
- IUPAC
- (3-ethyl-4-methylpentyl) propanoate
Names & synonyms
3-ethyl-4-methylpentyl propanoateDTXSID60988618VOPWQTKCEVSUOS-UHFFFAOYSA-NNS00126064
Database identifiers
- CAS
68909-97-7- PubChem CID
- 111422
- DTXSID
DTXSID60988618
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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