(2R,4R)-2-methylpentane-1,4-diol

C6H14O2 — CID 12931505

IUPAC(2R,4R)-2-methylpentane-1,4-diol
SMILESC[C@@H](CO)C[C@@H](C)O
InChIInChI=1S/C6H14O2/c1-5(4-7)3-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyPNJNLCNHYSWUPT-PHDIDXHHSA-N
MW118.18 g/mol
LogP0.39
Rot. Bonds3

About (2R,4R)-2-methylpentane-1,4-diol

(2R,4R)-2-methylpentane-1,4-diol (PubChem CID 12931505) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (2R,4R)-2-methylpentane-1,4-diol.

Molecular Properties

Compound Name(2R,4R)-2-methylpentane-1,4-diol
PubChem CID12931505
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(2R,4R)-2-methylpentane-1,4-diol
SMILESC[C@@H](CO)C[C@@H](C)O
InChIInChI=1S/C6H14O2/c1-5(4-7)3-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyPNJNLCNHYSWUPT-PHDIDXHHSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-Pentanol
CID 7910
4-Methyl-1-pentanol
CID 12296
2-Methyl-1-pentanol
CID 7745
2-Methylpentan-3-ol
CID 11264
5-Methyl-2-hexanol
CID 12323
2-Methyl-1,3-pentanediol
CID 61099
4-Methylpentane-1,4-diol
CID 10986200
(+)-2-Methyl-1-pentanol
CID 637757
Pentane-1,4-diol
CID 79083
(2R)-4-methylpentan-2-ol
CID 6999987
4-Methylpentane-1,3-diol
CID 12896295
2-Methylpentane-1,4-diol
CID 222516

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methylpentane-1,4-diol?
The IUPAC name of (2R,4R)-2-methylpentane-1,4-diol (CID 12931505) is (2R,4R)-2-methylpentane-1,4-diol.
What is the SMILES notation for (2R,4R)-2-methylpentane-1,4-diol?
The canonical SMILES for (2R,4R)-2-methylpentane-1,4-diol is C[C@@H](CO)C[C@@H](C)O.
What is the InChIKey of (2R,4R)-2-methylpentane-1,4-diol?
The InChIKey is PNJNLCNHYSWUPT-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14O2/c1-5(4-7)3-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-2-methylpentane-1,4-diol?
(2R,4R)-2-methylpentane-1,4-diol has a molecular weight of 118.18 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methylpentane-1,4-diol is sourced from PubChem (CID 12931505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).