(5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene

C21H36O — CID 89022968

IUPAC(5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene
SMILESCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCCC)OC
InChIInChI=1S/C21H36O/c1-4-6-8-9-10-11-12-13-14-15-16-18-20-21(22-3)19-17-7-5-2/h9-10,12-13,15-16,18,20-21H,4-8,11,14,17,19H2,1-3H3/b10-9-,13-12-,16-15-,20-18+/t21-/m1/s1
InChIKeyFXPKKLOBFVJQAX-HAVVVQIESA-N
MW304.52 g/mol
LogP6.78
Rot. Bonds14

About (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene

(5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene (PubChem CID 89022968) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene.

Molecular Properties

Compound Name(5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene
PubChem CID89022968
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name(5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene
SMILESCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCCC)OC
InChIInChI=1S/C21H36O/c1-4-6-8-9-10-11-12-13-14-15-16-18-20-21(22-3)19-17-7-5-2/h9-10,12-13,15-16,18,20-21H,4-8,11,14,17,19H2,1-3H3/b10-9-,13-12-,16-15-,20-18+/t21-/m1/s1
InChIKeyFXPKKLOBFVJQAX-HAVVVQIESA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene?
The IUPAC name of (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene (CID 89022968) is (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene.
What is the SMILES notation for (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene?
The canonical SMILES for (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene is CCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCCC)OC.
What is the InChIKey of (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene?
The InChIKey is FXPKKLOBFVJQAX-HAVVVQIESA-N. The full InChI is InChI=1S/C21H36O/c1-4-6-8-9-10-11-12-13-14-15-16-18-20-21(22-3)19-17-7-5-2/h9-10,12-13,15-16,18,20-21H,4-8,11,14,17,19H2,1-3H3/b10-9-,13-12-,16-15-,20-18+/t21-/m1/s1.
What are the key properties of (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene?
(5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene has a molecular weight of 304.52 g/mol, XLogP of 6.78, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,13E,15R)-15-methoxyicosa-5,8,11,13-tetraene is sourced from PubChem (CID 89022968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).