2,4-dimethylpentan-1-ol

C7H16O — CID 22749

IUPAC2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)CO
InChIInChI=1S/C7H16O/c1-6(2)4-7(3)5-8/h6-8H,4-5H2,1-3H3
InChIKeyOVOVDHYEOQJKMD-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.66
Rot. Bonds3

About 2,4-dimethylpentan-1-ol

2,4-dimethylpentan-1-ol (PubChem CID 22749) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2,4-dimethylpentan-1-ol
PubChem CID22749
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)CO
InChIInChI=1S/C7H16O/c1-6(2)4-7(3)5-8/h6-8H,4-5H2,1-3H3
InChIKeyOVOVDHYEOQJKMD-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-1-ol?
The IUPAC name of 2,4-dimethylpentan-1-ol (CID 22749) is 2,4-dimethylpentan-1-ol.
What is the SMILES notation for 2,4-dimethylpentan-1-ol?
The canonical SMILES for 2,4-dimethylpentan-1-ol is CC(C)CC(C)CO.
What is the InChIKey of 2,4-dimethylpentan-1-ol?
The InChIKey is OVOVDHYEOQJKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-6(2)4-7(3)5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,4-dimethylpentan-1-ol?
2,4-dimethylpentan-1-ol has a molecular weight of 116.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-1-ol is sourced from PubChem (CID 22749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).