hexadecan-1-ol

C16H34O — CID 2682

💊View drug profile → cetyl alcohol
IUPAChexadecan-1-ol
SMILESCCCCCCCCCCCCCCCCO
InChIInChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKeyBXWNKGSJHAJOGX-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.46
Rot. Bonds14

About hexadecan-1-ol

hexadecan-1-ol (PubChem CID 2682) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is hexadecan-1-ol.

Molecular Properties

Compound Namehexadecan-1-ol
PubChem CID2682
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Namehexadecan-1-ol
SMILESCCCCCCCCCCCCCCCCO
InChIInChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKeyBXWNKGSJHAJOGX-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.46
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-Octanol
CID 957
1-Dodecanol
CID 8193
1-Tetradecanol
CID 8209
Behenyl Alcohol
CID 12620
Stearyl Alcohol
CID 8221
1-Decanol
CID 8174
2-Octanol
CID 20083
Heptanol
CID 8129
1-Tridecanol
CID 8207
1-Undecanol
CID 8184
1-Nonanol
CID 8914
1-Heptadecanol
CID 15076

Frequently Asked Questions

What is the IUPAC name of hexadecan-1-ol?
The IUPAC name of hexadecan-1-ol (CID 2682) is hexadecan-1-ol.
What is the SMILES notation for hexadecan-1-ol?
The canonical SMILES for hexadecan-1-ol is CCCCCCCCCCCCCCCCO.
What is the InChIKey of hexadecan-1-ol?
The InChIKey is BXWNKGSJHAJOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3.
What are the key properties of hexadecan-1-ol?
hexadecan-1-ol has a molecular weight of 242.45 g/mol, XLogP of 5.46, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-ol is sourced from PubChem (CID 2682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).