2-methylhexan-1-ol

C14H32O2 — CID 159157237

IUPAC2-methylhexan-1-ol
SMILESCCCCC(C)CO.CCCCC(C)CO
InChIInChI=1S/2C7H16O/c2*1-3-4-5-7(2)6-8/h2*7-8H,3-6H2,1-2H3
InChIKeyKKAUHOCOAHPSJM-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.61
Rot. Bonds8

About 2-methylhexan-1-ol

2-methylhexan-1-ol (PubChem CID 159157237) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-methylhexan-1-ol.

Molecular Properties

Compound Name2-methylhexan-1-ol
PubChem CID159157237
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Name2-methylhexan-1-ol
SMILESCCCCC(C)CO.CCCCC(C)CO
InChIInChI=1S/2C7H16O/c2*1-3-4-5-7(2)6-8/h2*7-8H,3-6H2,1-2H3
InChIKeyKKAUHOCOAHPSJM-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
2-methyldodecane-1,8-diol
CID 59660146
2,6-dimethyldodecan-1-ol
CID 14392571
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
disodium;bis(2-methylhexan-1-ol);sulfate
CID 173330548
2-methylhexanoic acid;2-methylhexan-1-ol
CID 91342233
2,7-dimethylundecan-1-ol sulfate
CID 18328618
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
2-methyl-6-octyltetradecan-1-ol
CID 174680408

Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-1-ol?
The IUPAC name of 2-methylhexan-1-ol (CID 159157237) is 2-methylhexan-1-ol.
What is the SMILES notation for 2-methylhexan-1-ol?
The canonical SMILES for 2-methylhexan-1-ol is CCCCC(C)CO.CCCCC(C)CO.
What is the InChIKey of 2-methylhexan-1-ol?
The InChIKey is KKAUHOCOAHPSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16O/c2*1-3-4-5-7(2)6-8/h2*7-8H,3-6H2,1-2H3.
What are the key properties of 2-methylhexan-1-ol?
2-methylhexan-1-ol has a molecular weight of 232.41 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-1-ol is sourced from PubChem (CID 159157237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).