4-methylhexan-3-ol

C7H16O — CID 11991

IUPAC4-methylhexan-3-ol
SMILESCCC(C)C(O)CC
InChIInChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3
InChIKeyNZPGYIBESMMUFU-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds3

About 4-methylhexan-3-ol

4-methylhexan-3-ol (PubChem CID 11991) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 4-methylhexan-3-ol.

Molecular Properties

Compound Name4-methylhexan-3-ol
PubChem CID11991
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name4-methylhexan-3-ol
SMILESCCC(C)C(O)CC
InChIInChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3
InChIKeyNZPGYIBESMMUFU-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylhexan-3-ol?
The IUPAC name of 4-methylhexan-3-ol (CID 11991) is 4-methylhexan-3-ol.
What is the SMILES notation for 4-methylhexan-3-ol?
The canonical SMILES for 4-methylhexan-3-ol is CCC(C)C(O)CC.
What is the InChIKey of 4-methylhexan-3-ol?
The InChIKey is NZPGYIBESMMUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-methylhexan-3-ol?
4-methylhexan-3-ol has a molecular weight of 116.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhexan-3-ol is sourced from PubChem (CID 11991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).