1-methoxyoctadecane

C19H40O — CID 14026379

IUPAC1-methoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOC
InChIInChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h3-19H2,1-2H3
InChIKeyRVJIJWSQYZTQBW-UHFFFAOYSA-N
MW284.53 g/mol
LogP6.89
Rot. Bonds17

About 1-methoxyoctadecane

1-methoxyoctadecane (PubChem CID 14026379) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-methoxyoctadecane.

Molecular Properties

Compound Name1-methoxyoctadecane
PubChem CID14026379
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name1-methoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOC
InChIInChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h3-19H2,1-2H3
InChIKeyRVJIJWSQYZTQBW-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxyoctadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxyoctadecane?
The IUPAC name of 1-methoxyoctadecane (CID 14026379) is 1-methoxyoctadecane.
What is the SMILES notation for 1-methoxyoctadecane?
The canonical SMILES for 1-methoxyoctadecane is CCCCCCCCCCCCCCCCCCOC.
What is the InChIKey of 1-methoxyoctadecane?
The InChIKey is RVJIJWSQYZTQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h3-19H2,1-2H3.
What are the key properties of 1-methoxyoctadecane?
1-methoxyoctadecane has a molecular weight of 284.53 g/mol, XLogP of 6.89, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyoctadecane is sourced from PubChem (CID 14026379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).