5-methylhexan-1-ol

C7H16O — CID 12331

IUPAC5-methylhexan-1-ol
SMILESCC(C)CCCCO
InChIInChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyZVHAANQOQZVVFD-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds4

About 5-methylhexan-1-ol

5-methylhexan-1-ol (PubChem CID 12331) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 5-methylhexan-1-ol.

Molecular Properties

Compound Name5-methylhexan-1-ol
PubChem CID12331
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name5-methylhexan-1-ol
SMILESCC(C)CCCCO
InChIInChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyZVHAANQOQZVVFD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexanol
CID 7720
4-Methyl-1-pentanol
CID 12296
3,5,5-Trimethyl-1-hexanol
CID 18938
2-Methyl-1-pentanol
CID 7745
2-Ethyl-4-methylpentanol
CID 7821
5-Methyl-2-hexanol
CID 12323
2-Methylhexanol
CID 43858
2-Isopropyl-5-methylhexan-1-ol
CID 96291
2-Heptanol, 6-methyl-
CID 96476
2,4-Dimethyl-1-pentanol
CID 22749
2-n-Butylpropane-1,3-diol
CID 2795259
3-Methylhexan-1-ol
CID 25793

Frequently Asked Questions

What is the IUPAC name of 5-methylhexan-1-ol?
The IUPAC name of 5-methylhexan-1-ol (CID 12331) is 5-methylhexan-1-ol.
What is the SMILES notation for 5-methylhexan-1-ol?
The canonical SMILES for 5-methylhexan-1-ol is CC(C)CCCCO.
What is the InChIKey of 5-methylhexan-1-ol?
The InChIKey is ZVHAANQOQZVVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-methylhexan-1-ol?
5-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 5-methylhexan-1-ol is sourced from PubChem (CID 12331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).