2,3,6-Trimethylheptan-4-one
Basic information
- CAS
5453-96-3- Standard SMILES
CC(C)CC(=O)C(C)C(C)C- InChIKey
ADCMLYKEZQPOKL-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- 2,3,6-Trimethylheptan-4-one
- IUPAC
- 2,3,6-trimethylheptan-4-one
Names & synonyms
2,3,6-trimethylheptan-4-one5453-96-3DTXSID00280845RefChem:244296DTXCID60231999NSC18915SCHEMBL27592982ADCMLYKEZQPOKL-UHFFFAOYSA-N4-Heptanone, 2,3,6-trimethyl-NSC-18915
Database identifiers
- CAS
5453-96-3- PubChem CID
- 227359
- DTXSID
DTXSID00280845
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
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Related reactions
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Compound notes
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