3-methylhexan-2-ol

C7H16O — CID 16835

IUPAC3-methylhexan-2-ol
SMILESCCCC(C)C(C)O
InChIInChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3
InChIKeyIRLSKJITMWPWNY-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds3

About 3-methylhexan-2-ol

3-methylhexan-2-ol (PubChem CID 16835) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 3-methylhexan-2-ol.

Molecular Properties

Compound Name3-methylhexan-2-ol
PubChem CID16835
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name3-methylhexan-2-ol
SMILESCCCC(C)C(C)O
InChIInChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3
InChIKeyIRLSKJITMWPWNY-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-Ethyl-1,3-Hexanediol
CID 7211
3-Methylpentan-2-ol
CID 11261
2,4-Dimethyl-3-pentanol
CID 11752
2-Methyl-3-hexanol
CID 12040
2-Ethyl-4-methylpentanol
CID 7821
4-Methyl-3-heptanol
CID 26989
2,3-Dimethyl-1-pentanol
CID 25006
5-Methyl-2-hexanol
CID 12323
1-Pentanol, 2-propyl-
CID 123543
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634

Frequently Asked Questions

What is the IUPAC name of 3-methylhexan-2-ol?
The IUPAC name of 3-methylhexan-2-ol (CID 16835) is 3-methylhexan-2-ol.
What is the SMILES notation for 3-methylhexan-2-ol?
The canonical SMILES for 3-methylhexan-2-ol is CCCC(C)C(C)O.
What is the InChIKey of 3-methylhexan-2-ol?
The InChIKey is IRLSKJITMWPWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methylhexan-2-ol?
3-methylhexan-2-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 3-methylhexan-2-ol is sourced from PubChem (CID 16835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).