5-methylhexan-3-ol

C7H16O — CID 12186

IUPAC5-methylhexan-3-ol
SMILESCCC(O)CC(C)C
InChIInChI=1S/C7H16O/c1-4-7(8)5-6(2)3/h6-8H,4-5H2,1-3H3
InChIKeyRGCZULIFYUPTAR-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds3

About 5-methylhexan-3-ol

5-methylhexan-3-ol (PubChem CID 12186) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 5-methylhexan-3-ol.

Molecular Properties

Compound Name5-methylhexan-3-ol
PubChem CID12186
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name5-methylhexan-3-ol
SMILESCCC(O)CC(C)C
InChIInChI=1S/C7H16O/c1-4-7(8)5-6(2)3/h6-8H,4-5H2,1-3H3
InChIKeyRGCZULIFYUPTAR-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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Related Compounds

4-Methyl-2-Pentanol
CID 7910
2,6-Dimethyl-4-heptanol
CID 7957
3-Methylpentan-2-ol
CID 11261
2,4-Dimethyl-3-pentanol
CID 11752
2-Methyl-3-hexanol
CID 12040
2-Methylpentan-3-ol
CID 11264
4-Methyl-3-heptanol
CID 26989
5-Methyl-2-hexanol
CID 12323
2-Pentanol, 3-ethyl-
CID 79069
2-Methylheptan-3-ol
CID 86781
4-Methylhexan-3-ol
CID 11991
3-Methylhexan-2-ol
CID 16835

Frequently Asked Questions

What is the IUPAC name of 5-methylhexan-3-ol?
The IUPAC name of 5-methylhexan-3-ol (CID 12186) is 5-methylhexan-3-ol.
What is the SMILES notation for 5-methylhexan-3-ol?
The canonical SMILES for 5-methylhexan-3-ol is CCC(O)CC(C)C.
What is the InChIKey of 5-methylhexan-3-ol?
The InChIKey is RGCZULIFYUPTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-4-7(8)5-6(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-methylhexan-3-ol?
5-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 5-methylhexan-3-ol is sourced from PubChem (CID 12186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).