3-methylhexan-1-ol

C7H16O — CID 25793

IUPAC3-methylhexan-1-ol
SMILESCCCC(C)CCO
InChIInChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3
InChIKeyYGZVAQICDGBHMD-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds4

About 3-methylhexan-1-ol

3-methylhexan-1-ol (PubChem CID 25793) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 3-methylhexan-1-ol.

Molecular Properties

Compound Name3-methylhexan-1-ol
PubChem CID25793
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name3-methylhexan-1-ol
SMILESCCCC(C)CCO
InChIInChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3
InChIKeyYGZVAQICDGBHMD-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylhexan-1-ol?
The IUPAC name of 3-methylhexan-1-ol (CID 25793) is 3-methylhexan-1-ol.
What is the SMILES notation for 3-methylhexan-1-ol?
The canonical SMILES for 3-methylhexan-1-ol is CCCC(C)CCO.
What is the InChIKey of 3-methylhexan-1-ol?
The InChIKey is YGZVAQICDGBHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methylhexan-1-ol?
3-methylhexan-1-ol has a molecular weight of 116.20 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexan-1-ol is sourced from PubChem (CID 25793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).