2-methylhexane-2,5-diol

C7H16O2 — CID 13172503

IUPAC2-methylhexane-2,5-diol
SMILESCC(O)CCC(C)(C)O
InChIInChI=1S/C7H16O2/c1-6(8)4-5-7(2,3)9/h6,8-9H,4-5H2,1-3H3
InChIKeyKZWQVDXGMOSSNY-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.92
Rot. Bonds3

About 2-methylhexane-2,5-diol

2-methylhexane-2,5-diol (PubChem CID 13172503) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-methylhexane-2,5-diol.

Molecular Properties

Compound Name2-methylhexane-2,5-diol
PubChem CID13172503
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-methylhexane-2,5-diol
SMILESCC(O)CCC(C)(C)O
InChIInChI=1S/C7H16O2/c1-6(8)4-5-7(2,3)9/h6,8-9H,4-5H2,1-3H3
InChIKeyKZWQVDXGMOSSNY-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylhexane-2,5-diol?
The IUPAC name of 2-methylhexane-2,5-diol (CID 13172503) is 2-methylhexane-2,5-diol.
What is the SMILES notation for 2-methylhexane-2,5-diol?
The canonical SMILES for 2-methylhexane-2,5-diol is CC(O)CCC(C)(C)O.
What is the InChIKey of 2-methylhexane-2,5-diol?
The InChIKey is KZWQVDXGMOSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-6(8)4-5-7(2,3)9/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 2-methylhexane-2,5-diol?
2-methylhexane-2,5-diol has a molecular weight of 132.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane-2,5-diol is sourced from PubChem (CID 13172503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).