Basic information
- CAS
565-79-7- Standard SMILES
CC(=O)C(C)C(C)O- InChIKey
ZXZUCILLTLHIBZ-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 4-Hydroxy-3-methyl-2-pentanone
- IUPAC
- 4-hydroxy-3-methylpentan-2-one
- English name
- 4-hydroxy-3-methylpentan-2-one
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
4-Hydroxy-3-methylpentan-2-one565-79-7DTXSID709719154-hydroxy-3-methyl-2-pentanoneRefChem:1070768DTXCID901399407209-293-1EINECS 209-293-13-Methyl-4-hydroxy-2-pentanone4-hydroxy-3-methyl-pentan-2-oneSCHEMBL7042686SCHEMBL13717072
Show more names
3-Methyl-4-hydroxypentane-2-one2-Pentanone, 4-hydroxy-3-methyl-2-Pentanone, 4-hydroxy-3-methyl- (8CI,9CI)
ZXZUCILLTLHIBZ-UHFFFAOYSA-N4-hydroxy-3-methyl pentan-2-oneDB-263117NS00042360EN300-258675
Database identifiers
- CAS
565-79-7- PubChem CID
- 102438
- DTXSID
DTXSID70971915- EC Number
- 209-293-1
- Nikkaji
- J188.430A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.5
Chemistry & industry
Suppliers2 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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