(1E,9E)-1-methoxyoctadeca-1,9-diene

C19H36O — CID 5366229

IUPAC(1E,9E)-1-methoxyoctadeca-1,9-diene
SMILESCCCCCCCC/C=C/CCCCCC/C=C/OC
InChIInChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11,18-19H,3-9,12-17H2,1-2H3/b11-10+,19-18+
InChIKeyQVJZDIHZTIUIAX-ZSTJXTSSSA-N
MW280.50 g/mol
LogP6.79
Rot. Bonds15

About (1E,9E)-1-methoxyoctadeca-1,9-diene

(1E,9E)-1-methoxyoctadeca-1,9-diene (PubChem CID 5366229) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (1E,9E)-1-methoxyoctadeca-1,9-diene.

Molecular Properties

Compound Name(1E,9E)-1-methoxyoctadeca-1,9-diene
PubChem CID5366229
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(1E,9E)-1-methoxyoctadeca-1,9-diene
SMILESCCCCCCCC/C=C/CCCCCC/C=C/OC
InChIInChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11,18-19H,3-9,12-17H2,1-2H3/b11-10+,19-18+
InChIKeyQVJZDIHZTIUIAX-ZSTJXTSSSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.79
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)-1-methoxyoctadeca-1,9-diene 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)-1-methoxyoctadeca-1,9-diene?
The IUPAC name of (1E,9E)-1-methoxyoctadeca-1,9-diene (CID 5366229) is (1E,9E)-1-methoxyoctadeca-1,9-diene.
What is the SMILES notation for (1E,9E)-1-methoxyoctadeca-1,9-diene?
The canonical SMILES for (1E,9E)-1-methoxyoctadeca-1,9-diene is CCCCCCCC/C=C/CCCCCC/C=C/OC.
What is the InChIKey of (1E,9E)-1-methoxyoctadeca-1,9-diene?
The InChIKey is QVJZDIHZTIUIAX-ZSTJXTSSSA-N. The full InChI is InChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11,18-19H,3-9,12-17H2,1-2H3/b11-10+,19-18+.
What are the key properties of (1E,9E)-1-methoxyoctadeca-1,9-diene?
(1E,9E)-1-methoxyoctadeca-1,9-diene has a molecular weight of 280.50 g/mol, XLogP of 6.79, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,9E)-1-methoxyoctadeca-1,9-diene is sourced from PubChem (CID 5366229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).