octadecan-1-ol

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
LogP6.24
Rot. Bonds16

About octadecan-1-ol

octadecan-1-ol (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 Nameoctadecan-1-ol
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
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.24
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 octadecan-1-ol?
The IUPAC name of octadecan-1-ol (CID 8221) is octadecan-1-ol.
What is the SMILES notation for octadecan-1-ol?
The canonical SMILES for octadecan-1-ol is CCCCCCCCCCCCCCCCCCO.
What is the InChIKey of octadecan-1-ol?
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 octadecan-1-ol?
octadecan-1-ol has a molecular weight of 270.50 g/mol, XLogP of 6.24, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-ol is sourced from PubChem (CID 8221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).