3-Ethyl-4-methylpentyl acetate
Basic information
- CAS
68478-37-5- Standard SMILES
CCC(CCOC(C)=O)C(C)C- InChIKey
DLNSFHIRHRZGJK-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 3-Ethyl-4-methylpentyl acetate
- IUPAC
- (3-ethyl-4-methylpentyl) acetate
Names & synonyms
3-ethyl-4-methylpentyl acetateSCHEMBL12258280DLNSFHIRHRZGJK-UHFFFAOYSA-NNS00121045
Database identifiers
- CAS
68478-37-5- PubChem CID
- 109396
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 130
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Related reactions
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Compound notes
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