(5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene

C21H36O — CID 10518636

IUPAC(5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC
InChIInChI=1S/C21H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyVOYSHUSVCAMAQK-ZKWNWVNESA-N
MW304.52 g/mol
LogP6.78
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene

(5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene (PubChem CID 10518636) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene
PubChem CID10518636
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name(5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC
InChIInChI=1S/C21H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyVOYSHUSVCAMAQK-ZKWNWVNESA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.78
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene?
The IUPAC name of (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene (CID 10518636) is (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene?
The canonical SMILES for (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene?
The InChIKey is VOYSHUSVCAMAQK-ZKWNWVNESA-N. The full InChI is InChI=1S/C21H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene?
(5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene has a molecular weight of 304.52 g/mol, XLogP of 6.78, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-1-methoxyicosa-5,8,11,14-tetraene is sourced from PubChem (CID 10518636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).