2,4-Dimethyl-3-Hexanone
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Basic information
- CAS
18641-70-8- Standard SMILES
CCC(C)C(=O)C(C)C- InChIKey
PZAPVPGZDHJUTO-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 2,4-Dimethyl-3-Hexanone
- IUPAC
- 2,4-dimethylhexan-3-one
- English name
- 2,4-DIMETHYL-3-HEXANONE
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2,4-Dimethyl-3-hexanone18641-70-83-Hexanone, 2,4-dimethyl-2,4-Dimethyl hexanone-3RefChem:82503PZAPVPGZDHJUTO-UHFFFAOYSA-N2,4-dimethylhexan-3-oneSCHEMBL269836SCHEMBL25403063SCHEMBL25403186DTXSID70940080TAA64170
Show more names
2 4-DIMETHYL-3-HEXANONE 97%
AKOS013029676DB-044598EN300-1245331
Database identifiers
- CAS
18641-70-8- PubChem CID
- 86770
- DTXSID
DTXSID70940080- Nikkaji
- J110.704F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- 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
- Boiling point
- 65.5 °C · 65.5 °C(Press: 50 Torr)
- Density
- 0.809 · 0.809±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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