(1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene

C19H34O — CID 5366231

IUPAC(1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene
SMILESCCCCC/C=C/C/C=C/CCCCCC/C=C/OC
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h7-8,10-11,18-19H,3-6,9,12-17H2,1-2H3/b8-7+,11-10+,19-18+
InChIKeySZGSRPOLGVEZLU-VHEGXASUSA-N
MW278.48 g/mol
LogP6.57
Rot. Bonds14

About (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene

(1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene (PubChem CID 5366231) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene.

Molecular Properties

Compound Name(1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene
PubChem CID5366231
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name(1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene
SMILESCCCCC/C=C/C/C=C/CCCCCC/C=C/OC
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h7-8,10-11,18-19H,3-6,9,12-17H2,1-2H3/b8-7+,11-10+,19-18+
InChIKeySZGSRPOLGVEZLU-VHEGXASUSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene with MolForge

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

Launch Full Analysis

Related Compounds

1-Decene, 1-ethoxy-
CID 53422433
1-Methoxydecene
CID 6365701
Oleyl alcohol, methyl ether
CID 12550087
1-Methoxydec-1-ene
CID 3018221
(E)-1-ethoxydec-1-ene
CID 21972057
alpha-Octadec-1-enyl ether
CID 54273952
Hexadec-1-enyl ether
CID 57140599
1-Methoxyoctadec-9-ene
CID 551192
Decenyl oxide
CID 54362454
(Z)-1-[(E)-hex-2-enoxy]dec-1-ene
CID 10823872
(E)-1-methoxyundec-1-ene
CID 11480871
(E)-1-methoxynon-1-ene
CID 11805015

Frequently Asked Questions

What is the IUPAC name of (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene?
The IUPAC name of (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene (CID 5366231) is (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene.
What is the SMILES notation for (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene?
The canonical SMILES for (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene is CCCCC/C=C/C/C=C/CCCCCC/C=C/OC.
What is the InChIKey of (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene?
The InChIKey is SZGSRPOLGVEZLU-VHEGXASUSA-N. The full InChI is InChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h7-8,10-11,18-19H,3-6,9,12-17H2,1-2H3/b8-7+,11-10+,19-18+.
What are the key properties of (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene?
(1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene has a molecular weight of 278.48 g/mol, XLogP of 6.57, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,9E,12E)-1-methoxyoctadeca-1,9,12-triene is sourced from PubChem (CID 5366231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).