hexan-1-ol

C6H14O — CID 8103

IUPAChexan-1-ol
SMILESCCCCCCO
InChIInChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKeyZSIAUFGUXNUGDI-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.56
Rot. Bonds4

About hexan-1-ol

hexan-1-ol (PubChem CID 8103) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is hexan-1-ol.

Molecular Properties

Compound Namehexan-1-ol
PubChem CID8103
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Namehexan-1-ol
SMILESCCCCCCO
InChIInChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKeyZSIAUFGUXNUGDI-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.56
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

1-Pentanol
CID 6276
Heptanol
CID 8129
1,6-Hexanediol
CID 12374
2-Hexanol
CID 12297
2-Heptanol
CID 10976
Hexanediol
CID 147023
2-Heptanol, (+)-
CID 2724897
2-Heptanol, (-)-
CID 6992611
Hexanol, 6-fluoro-
CID 9768
1,3-Hexanediol
CID 210704
(2S)-hexan-2-ol
CID 638097
2-Hexanol, (R)-
CID 6993810

Frequently Asked Questions

What is the IUPAC name of hexan-1-ol?
The IUPAC name of hexan-1-ol (CID 8103) is hexan-1-ol.
What is the SMILES notation for hexan-1-ol?
The canonical SMILES for hexan-1-ol is CCCCCCO.
What is the InChIKey of hexan-1-ol?
The InChIKey is ZSIAUFGUXNUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3.
What are the key properties of hexan-1-ol?
hexan-1-ol has a molecular weight of 102.18 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol is sourced from PubChem (CID 8103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).