Basic information
- CAS
223415-99-4- Standard SMILES
CC(=O)C(C)CCC(C)O- InChIKey
ILCDBDYWPVFTBR-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 2-Heptanone, 6-hydroxy-3-methyl-
- IUPAC
- 6-hydroxy-3-methylheptan-2-one
- English name
- 2-Heptanone, 6-hydroxy-3-methyl- (9CI)
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21144
Names & synonyms
223415-99-4SCHEMBL143216402-Heptanone, 6-hydroxy-3-methyl-DB-2703042-Heptanone, 6-hydroxy-3-methyl- (9CI)
Database identifiers
- CAS
223415-99-4- PubChem CID
- 45085738
- Nikkaji
- J1.235.679J
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 110
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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