Basic information
- CAS
19781-14-7- Standard SMILES
CCCC(C)CC(C)C(C)=O- InChIKey
HSMZFNPREAWEOC-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- 3,5-Dimethyl-2-octanone
- IUPAC
- 3,5-dimethyloctan-2-one
- English name
- 3,5-Dimethyl-2-octanone
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
3,5-Dimethyl-2-octanone19781-14-7DTXSID70337012RefChem:271905DTXCID60288100HSMZFNPREAWEOC-UHFFFAOYSA-N3,5-dimethyloctan-2-one2-Octanone, 3,5-dimethyl-SCHEMBL1784139AKOS011548930
Database identifiers
- CAS
19781-14-7- PubChem CID
- 537874
- DTXSID
DTXSID70337012
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 118
Chemistry & industry
Suppliers3 total
Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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