(2R,3S)-3-methylhexane-1,2-diol

C7H16O2 — CID 13403651

IUPAC(2R,3S)-3-methylhexane-1,2-diol
SMILESCCC[C@H](C)[C@@H](O)CO
InChIInChI=1S/C7H16O2/c1-3-4-6(2)7(9)5-8/h6-9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyMSCWGJFHWUZSAO-BQBZGAKWSA-N
MW132.20 g/mol
LogP0.78
Rot. Bonds4

About (2R,3S)-3-methylhexane-1,2-diol

(2R,3S)-3-methylhexane-1,2-diol (PubChem CID 13403651) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2R,3S)-3-methylhexane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-methylhexane-1,2-diol
PubChem CID13403651
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(2R,3S)-3-methylhexane-1,2-diol
SMILESCCC[C@H](C)[C@@H](O)CO
InChIInChI=1S/C7H16O2/c1-3-4-6(2)7(9)5-8/h6-9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyMSCWGJFHWUZSAO-BQBZGAKWSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-3-methylhexane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methylhexane-1,2-diol?
The IUPAC name of (2R,3S)-3-methylhexane-1,2-diol (CID 13403651) is (2R,3S)-3-methylhexane-1,2-diol.
What is the SMILES notation for (2R,3S)-3-methylhexane-1,2-diol?
The canonical SMILES for (2R,3S)-3-methylhexane-1,2-diol is CCC[C@H](C)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-3-methylhexane-1,2-diol?
The InChIKey is MSCWGJFHWUZSAO-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-4-6(2)7(9)5-8/h6-9H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2R,3S)-3-methylhexane-1,2-diol?
(2R,3S)-3-methylhexane-1,2-diol has a molecular weight of 132.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methylhexane-1,2-diol is sourced from PubChem (CID 13403651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).