3,4-Dimethyl-3,4-hexanediol
Basic information
- CAS
1185-02-0- Standard SMILES
CCC(C)(O)C(C)(O)CC- InChIKey
RJOVKNVJGPMWDT-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 3,4-Dimethyl-3,4-hexanediol
- IUPAC
- 3,4-dimethylhexane-3,4-diol
- English name
- 3,4-Dimethyl-3,4-hexanediol
- Molecular formula
- C8H18O2
- Molecular weight
- 146.23
Names & synonyms
3,4-Dimethyl-3,4-hexanediolDTXSID70278996RefChem:1065801DTXCID902301521185-02-03,4-dimethylhexane-3,4-diol3,4-Hexanediol, 3,4-dimethyl-34-Hexanediol 34-dimethyl-3,4-Hexanediol,3,4-dimethyl-NSC109933, 3,4-dimethyl-SCHEMBL2821815
Show more names
3,4-Dimethyl-3,4-hexanediol #MFCD00029999NSC-109933,?4-?Hexanediol, 3,?4-?dimethyl-AS-80048DS-013929F87005F861582
Database identifiers
- CAS
1185-02-0- PubChem CID
- 223377
- DTXSID
DTXSID70278996- Nikkaji
- J103.150C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.8
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Compound notes
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