3-Heptanone, 4-methyl-6-(2-oxiranyl)-
Basic information
- CAS
63324-22-1- Standard SMILES
CCC(=O)C(C)CC(C)C1CO1- InChIKey
LQHJAQYQAYERCP-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 3-Heptanone, 4-methyl-6-(2-oxiranyl)-
- IUPAC
- 4-methyl-6-(oxiran-2-yl)heptan-3-one
- English name
- 4-Methyl-6-oxiranyl-3-heptanone
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
3-Heptanone, 4-methyl-6-oxiranyl-63324-22-13-Heptanone, 4-methyl-6-(2-oxiranyl)-3-Octanone, 7,8-epoxy-4,6-dimethyl-DTXSID10886579RefChem:502129DTXCID3010259034-methyl-6-(oxiran-2-yl)heptan-3-one4-Methyl-6-oxiranyl-3-heptanoneLQHJAQYQAYERCP-UHFFFAOYSA-NDB-306070
Database identifiers
- CAS
63324-22-1- PubChem CID
- 112642
- DTXSID
DTXSID10886579- Nikkaji
- J429.558G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Heptanone, 4-methyl-6-oxiranyl- (63324-22-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Heptanone, 4-methyl-6-(2-oxiranyl)-: INACTIVE
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Related reactions
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Compound notes
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