Basic information
- CAS
93919-11-0- Standard SMILES
CC(C)CC(=O)CC(O)C(C)C- InChIKey
DLUOUVXXRXNEQK-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 6-Hydroxy-2,7-dimethyloctan-4-one
- IUPAC
- 6-hydroxy-2,7-dimethyloctan-4-one
- English name
- 6-hydroxy-2,7-dimethyloctan-4-one
- Molecular formula
- C10H20O2
- Molecular weight
- 172.2646
Names & synonyms
6-Hydroxy-2,7-dimethyloctan-4-one6-hydroxy-2,7-dimethyl-4-octanone93919-11-0XX22GK97R5EINECS 299-994-9NSC-404927NSC 4049274-Octanone, 6-hydroxy-2,7-dimethyl-RefChem:104707299-994-9NSC404927UNII-XX22GK97R5
Show more names
DLUOUVXXRXNEQK-UHFFFAOYSA-NDTXSID001298765NS00065199
Database identifiers
- CAS
93919-11-0- PubChem CID
- 101136
- DTXSID
DTXSID001298765- UNII
- XX22GK97R5
- EC Number
- 299-994-9
- Nikkaji
- J320.464B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- FDA UNII
- 22 GK97R5 · XX22GK97R5
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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