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

C6H14O2 — CID 12547715

IUPAC(2R,3R)-4-methylpentane-2,3-diol
SMILESCC(C)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H14O2/c1-4(2)6(8)5(3)7/h4-8H,1-3H3/t5-,6-/m1/s1
InChIKeyRNKURRDNOYXATR-PHDIDXHHSA-N
MW118.18 g/mol
LogP0.38
Rot. Bonds2

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

(2R,3R)-4-methylpentane-2,3-diol (PubChem CID 12547715) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (2R,3R)-4-methylpentane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-4-methylpentane-2,3-diol
PubChem CID12547715
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(2R,3R)-4-methylpentane-2,3-diol
SMILESCC(C)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H14O2/c1-4(2)6(8)5(3)7/h4-8H,1-3H3/t5-,6-/m1/s1
InChIKeyRNKURRDNOYXATR-PHDIDXHHSA-N
XLogP0.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-methylpentane-2,3-diol?
The IUPAC name of (2R,3R)-4-methylpentane-2,3-diol (CID 12547715) is (2R,3R)-4-methylpentane-2,3-diol.
What is the SMILES notation for (2R,3R)-4-methylpentane-2,3-diol?
The canonical SMILES for (2R,3R)-4-methylpentane-2,3-diol is CC(C)[C@@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3R)-4-methylpentane-2,3-diol?
The InChIKey is RNKURRDNOYXATR-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14O2/c1-4(2)6(8)5(3)7/h4-8H,1-3H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-4-methylpentane-2,3-diol?
(2R,3R)-4-methylpentane-2,3-diol has a molecular weight of 118.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-methylpentane-2,3-diol is sourced from PubChem (CID 12547715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).