Basic information
- CAS
7795-80-4- Standard SMILES
CCC(O)C(C)(C)O- InChIKey
GSQFUEPQVUSAPE-UHFFFAOYSA-N- Molecular formula
- C6H14O2
- Average molar mass
- 118.17 g/mol
- Monoisotopic mass
- 118.09937969
Names & identifiers
- Preferred name
- 2-Methyl-2,3-pentanediol
- IUPAC
- 2-methylpentane-2,3-diol
Names & synonyms
2-Methyl-2,3-pentanediol7795-80-4SCHEMBL270298SCHEMBL270819SCHEMBL2669556SCHEMBL2881747SCHEMBL6403683SCHEMBL9575315DTXSID301350596
Database identifiers
- CAS
7795-80-4- PubChem CID
- 522693
- DTXSID
DTXSID301350596- Nikkaji
- J591.246F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…