(2R,3R,4R)-4-methylhexane-2,3-diol

C7H16O2 — CID 14636800

IUPAC(2R,3R,4R)-4-methylhexane-2,3-diol
SMILESCC[C@@H](C)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C7H16O2/c1-4-5(2)7(9)6(3)8/h5-9H,4H2,1-3H3/t5-,6-,7-/m1/s1
InChIKeyOCXHYXBMBDHYQJ-FSDSQADBSA-N
MW132.20 g/mol
LogP0.77
Rot. Bonds3

About (2R,3R,4R)-4-methylhexane-2,3-diol

(2R,3R,4R)-4-methylhexane-2,3-diol (PubChem CID 14636800) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2R,3R,4R)-4-methylhexane-2,3-diol.

Molecular Properties

Compound Name(2R,3R,4R)-4-methylhexane-2,3-diol
PubChem CID14636800
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(2R,3R,4R)-4-methylhexane-2,3-diol
SMILESCC[C@@H](C)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C7H16O2/c1-4-5(2)7(9)6(3)8/h5-9H,4H2,1-3H3/t5-,6-,7-/m1/s1
InChIKeyOCXHYXBMBDHYQJ-FSDSQADBSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R,4R)-4-methylhexane-2,3-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,3R,4R)-4-methylhexane-2,3-diol?
The IUPAC name of (2R,3R,4R)-4-methylhexane-2,3-diol (CID 14636800) is (2R,3R,4R)-4-methylhexane-2,3-diol.
What is the SMILES notation for (2R,3R,4R)-4-methylhexane-2,3-diol?
The canonical SMILES for (2R,3R,4R)-4-methylhexane-2,3-diol is CC[C@@H](C)[C@@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3R,4R)-4-methylhexane-2,3-diol?
The InChIKey is OCXHYXBMBDHYQJ-FSDSQADBSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-5(2)7(9)6(3)8/h5-9H,4H2,1-3H3/t5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,4R)-4-methylhexane-2,3-diol?
(2R,3R,4R)-4-methylhexane-2,3-diol has a molecular weight of 132.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-methylhexane-2,3-diol is sourced from PubChem (CID 14636800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).