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

C6H14O2 — CID 59911125

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

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

(3R)-4-methylpentane-2,3-diol (PubChem CID 59911125) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (3R)-4-methylpentane-2,3-diol.

Molecular Properties

Compound Name(3R)-4-methylpentane-2,3-diol
PubChem CID59911125
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(3R)-4-methylpentane-2,3-diol
SMILESCC(C)[C@@H](O)C(C)O
InChIInChI=1S/C6H14O2/c1-4(2)6(8)5(3)7/h4-8H,1-3H3/t5?,6-/m1/s1
InChIKeyRNKURRDNOYXATR-PRJDIBJQSA-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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Related Compounds

(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
heptane-2,3,4,5,6-pentol
CID 59809248
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
(3S,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979804
(3R,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979803
1,1-dibromo-3-methylbutan-2-ol
CID 15089986
(3R,4R)-4-iodopentane-2,3-diol
CID 134993027
(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol
CID 177129718
2,2,5-trimethylhexane-3,4-diol
CID 103456431
(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid
CID 130641963
butane-2,3-diol;propan-2-ol
CID 88653918

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methylpentane-2,3-diol?
The IUPAC name of (3R)-4-methylpentane-2,3-diol (CID 59911125) is (3R)-4-methylpentane-2,3-diol.
What is the SMILES notation for (3R)-4-methylpentane-2,3-diol?
The canonical SMILES for (3R)-4-methylpentane-2,3-diol is CC(C)[C@@H](O)C(C)O.
What is the InChIKey of (3R)-4-methylpentane-2,3-diol?
The InChIKey is RNKURRDNOYXATR-PRJDIBJQSA-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 (3R)-4-methylpentane-2,3-diol?
(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 (3R)-4-methylpentane-2,3-diol is sourced from PubChem (CID 59911125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).