2,3-dimethylpentane-2,3-diol

C7H16O2 — CID 22323943

IUPAC2,3-dimethylpentane-2,3-diol
SMILESCCC(C)(O)C(C)(C)O
InChIInChI=1S/C7H16O2/c1-5-7(4,9)6(2,3)8/h8-9H,5H2,1-4H3
InChIKeyHNIDTKCNPXBSLD-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.92
Rot. Bonds2

About 2,3-dimethylpentane-2,3-diol

2,3-dimethylpentane-2,3-diol (PubChem CID 22323943) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2,3-dimethylpentane-2,3-diol.

Molecular Properties

Compound Name2,3-dimethylpentane-2,3-diol
PubChem CID22323943
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2,3-dimethylpentane-2,3-diol
SMILESCCC(C)(O)C(C)(C)O
InChIInChI=1S/C7H16O2/c1-5-7(4,9)6(2,3)8/h8-9H,5H2,1-4H3
InChIKeyHNIDTKCNPXBSLD-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 2,3-dimethylpentane-2,3-diol?
The IUPAC name of 2,3-dimethylpentane-2,3-diol (CID 22323943) is 2,3-dimethylpentane-2,3-diol.
What is the SMILES notation for 2,3-dimethylpentane-2,3-diol?
The canonical SMILES for 2,3-dimethylpentane-2,3-diol is CCC(C)(O)C(C)(C)O.
What is the InChIKey of 2,3-dimethylpentane-2,3-diol?
The InChIKey is HNIDTKCNPXBSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-5-7(4,9)6(2,3)8/h8-9H,5H2,1-4H3.
What are the key properties of 2,3-dimethylpentane-2,3-diol?
2,3-dimethylpentane-2,3-diol has a molecular weight of 132.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane-2,3-diol is sourced from PubChem (CID 22323943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).