16-methoxyhexadec-1-ene

C17H34O — CID 54170061

IUPAC16-methoxyhexadec-1-ene
SMILESC=CCCCCCCCCCCCCCCOC
InChIInChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h3H,1,4-17H2,2H3
InChIKeyFHPKOOZXOVELOA-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.89
Rot. Bonds15

About 16-methoxyhexadec-1-ene

16-methoxyhexadec-1-ene (PubChem CID 54170061) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 16-methoxyhexadec-1-ene.

Molecular Properties

Compound Name16-methoxyhexadec-1-ene
PubChem CID54170061
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name16-methoxyhexadec-1-ene
SMILESC=CCCCCCCCCCCCCCCOC
InChIInChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h3H,1,4-17H2,2H3
InChIKeyFHPKOOZXOVELOA-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 16-methoxyhexadec-1-ene 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 16-methoxyhexadec-1-ene?
The IUPAC name of 16-methoxyhexadec-1-ene (CID 54170061) is 16-methoxyhexadec-1-ene.
What is the SMILES notation for 16-methoxyhexadec-1-ene?
The canonical SMILES for 16-methoxyhexadec-1-ene is C=CCCCCCCCCCCCCCCOC.
What is the InChIKey of 16-methoxyhexadec-1-ene?
The InChIKey is FHPKOOZXOVELOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h3H,1,4-17H2,2H3.
What are the key properties of 16-methoxyhexadec-1-ene?
16-methoxyhexadec-1-ene has a molecular weight of 254.46 g/mol, XLogP of 5.89, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methoxyhexadec-1-ene is sourced from PubChem (CID 54170061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).