3-Isopropyl-2-pentanone
Basic information
- CAS
71172-57-1- Standard SMILES
CCC(C(C)=O)C(C)C- InChIKey
KNCSWJHMGRXEDN-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 3-Isopropyl-2-pentanone
- IUPAC
- 3-ethyl-4-methylpentan-2-one
- English name
- 3-ISOPROPYL-2-PENTANONE
- Molecular formula
- C8H16O
- Molecular weight
- 128.2161
Names & synonyms
3-ISOPROPYL-2-PENTANONE3-ethyl-4-methylpentan-2-one71172-57-13-ethyl-4-methyl-2-pentanone84984-47-4NSC62036SCHEMBL5801039SCHEMBL7961570KNCSWJHMGRXEDN-UHFFFAOYSA-N2-Pentanone, 3-ethyl-4-methyl-NSC-62036AKOS012210320
Database identifiers
- CAS
71172-57-1- PubChem CID
- 247463
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.7
Physicochemical properties
- Melting point
- -32.24 °C · -32.24°C (estimate)
- Boiling point
- 153.85 °C · 153.85°C
- Density
- 0.812 · 0.8120
- refractive index
- 1.4105 · 1.4105
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Compound notes
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