Basic information
- Standard SMILES
CC(C)CCC(=O)C(C)(C)C- InChIKey
WEZPUQPROWKXCL-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
Names & identifiers
- Preferred name
- 2,2,6-Trimethylheptan-3-one
- IUPAC
- 2,2,6-trimethylheptan-3-one
Names & synonyms
2,2,6-trimethylheptan-3-one23033-70-72,2,6-trimethyl-3-heptanoneSCHEMBL7692470SCHEMBL11253721YAA03370AKOS008127854EN300-77737G25645Z406377852
Database identifiers
- PubChem CID
- 20065501
- Nikkaji
- J3.314.985I
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
- 128
Related reactions
2 records
Compound notes
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