2,4-dimethylpentane-1,5-diol

C7H16O2 — CID 10964552

IUPAC2,4-dimethylpentane-1,5-diol
SMILESCC(CO)CC(C)CO
InChIInChI=1S/C7H16O2/c1-6(4-8)3-7(2)5-9/h6-9H,3-5H2,1-2H3
InChIKeyZJWDJIVISLUQQZ-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.63
Rot. Bonds4

About 2,4-dimethylpentane-1,5-diol

2,4-dimethylpentane-1,5-diol (PubChem CID 10964552) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2,4-dimethylpentane-1,5-diol.

Molecular Properties

Compound Name2,4-dimethylpentane-1,5-diol
PubChem CID10964552
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2,4-dimethylpentane-1,5-diol
SMILESCC(CO)CC(C)CO
InChIInChI=1S/C7H16O2/c1-6(4-8)3-7(2)5-9/h6-9H,3-5H2,1-2H3
InChIKeyZJWDJIVISLUQQZ-UHFFFAOYSA-N
XLogP0.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1-pentanol
CID 12296
2-Methyl-1-pentanol
CID 7745
3-Methyl-1,5-pentanediol
CID 20524
2,3-Dimethyl-1-pentanol
CID 25006
2-Methylhexanol
CID 43858
2,4-Dimethyl-1-pentanol
CID 22749
2-n-Butylpropane-1,3-diol
CID 2795259
(+)-2-Methyl-1-pentanol
CID 637757
(-)-2-Methyl-1-pentanol
CID 6999993
2-Ethyl-1-pentanol
CID 123424
3,4-Dimethyl-1-pentanol
CID 110906
2-Propyl-1,3-propanediol
CID 7021156

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane-1,5-diol?
The IUPAC name of 2,4-dimethylpentane-1,5-diol (CID 10964552) is 2,4-dimethylpentane-1,5-diol.
What is the SMILES notation for 2,4-dimethylpentane-1,5-diol?
The canonical SMILES for 2,4-dimethylpentane-1,5-diol is CC(CO)CC(C)CO.
What is the InChIKey of 2,4-dimethylpentane-1,5-diol?
The InChIKey is ZJWDJIVISLUQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-6(4-8)3-7(2)5-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethylpentane-1,5-diol?
2,4-dimethylpentane-1,5-diol has a molecular weight of 132.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane-1,5-diol is sourced from PubChem (CID 10964552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).