Basic information
- CAS
6321-14-8- Standard SMILES
CC(=O)C(C)(O)CC(C)C- InChIKey
BVYUAISSKQVRJV-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 3-Hydroxy-3,5-dimethyl-2-hexanone
- IUPAC
- 3-hydroxy-3,5-dimethylhexan-2-one
- English name
- 3-hydroxy-3,5-dimethyl-hexan-2-one
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
3-hydroxy-3,5-dimethylhexan-2-one3-Hydroxy-3,5-dimethyl-2-hexanone6321-14-82-Hexanone,5-dimethyl-NSC323432-Hexanone, 3-hydroxy-3,5-dimethyl-SCHEMBL1782336DTXSID50280219BVYUAISSKQVRJV-UHFFFAOYSA-NNSC15979NSC-15979NSC-32343
Show more names
3-hydroxy-3,5-dimethyl-hexan-2-one
3-Hydroxy-3,5-dimethyl-2-hexanone #
Database identifiers
- CAS
6321-14-8- PubChem CID
- 226002
- DTXSID
DTXSID50280219- Nikkaji
- J113.941J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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