6-Hydroxy-6-methyl-2-heptanone
Basic information
- CAS
5077-57-6- Standard SMILES
CC(=O)CCCC(C)(C)O- InChIKey
BDKJAPPUGXLAHC-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 6-Hydroxy-6-methyl-2-heptanone
- IUPAC
- 6-hydroxy-6-methylheptan-2-one
- English name
- 6-hydroxy-6-methylheptan-2-one
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21144
Names & synonyms
6-Hydroxy-6-methylheptan-2-one6-Hydroxy-6-methyl-2-heptanoneDZ7EM846KLDTXSID50198805RefChem:104740DTXCID701212965077-57-62-Heptanone, 6-hydroxy-6-methyl-2-Heptanone,6-hydroxy-6-methyl-EINECS 225-789-0UNII-DZ7EM846KL2-methyl-heptan-2-ol-6-one
Show more names
SCHEMBL11236803AKOS017514750NS00032142Q63392068
Database identifiers
- CAS
5077-57-6- PubChem CID
- 78762
- DTXSID
DTXSID50198805- UNII
- DZ7EM846KL
- EC Number
- 225-789-0
- Nikkaji
- J203.282A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- FDA UNII
- 7 EM846KL · DZ7EM846KL
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Related reactions
2 records
Compound notes
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