Stearyl Alcohol

C18H38O — CID 8221

IUPACoctadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKeyGLDOVTGHNKAZLK-UHFFFAOYSA-N
MW270.50 g/mol
LogP8.40
Rot. Bonds16

About Stearyl Alcohol

Stearyl Alcohol (PubChem CID 8221) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is octadecan-1-ol.

Molecular Properties

Compound NameStearyl Alcohol
PubChem CID8221
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Nameoctadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKeyGLDOVTGHNKAZLK-UHFFFAOYSA-N
XLogP8.40
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms19
Complexity145

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 58.40
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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Frequently Asked Questions

What is the IUPAC name of Stearyl Alcohol?
The IUPAC name of Stearyl Alcohol (CID 8221) is octadecan-1-ol.
What is the SMILES notation for Stearyl Alcohol?
The canonical SMILES for Stearyl Alcohol is CCCCCCCCCCCCCCCCCCO.
What is the InChIKey of Stearyl Alcohol?
The InChIKey is GLDOVTGHNKAZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3.
What are the key properties of Stearyl Alcohol?
Stearyl Alcohol has a molecular weight of 270.50 g/mol, XLogP of 8.40, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Stearyl Alcohol is sourced from PubChem (CID 8221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).