icosa-4,8,12,16-tetraene

C20H34 — CID 54472715

IUPACicosa-4,8,12,16-tetraene
SMILESCCCC=CCCC=CCCC=CCCC=CCCC
InChIInChI=1S/C20H34/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h7-10,15-18H,3-6,11-14,19-20H2,1-2H3
InChIKeyPRDSJIIKCXMUOR-UHFFFAOYSA-N
MW274.49 g/mol
LogP7.15
Rot. Bonds13

About icosa-4,8,12,16-tetraene

icosa-4,8,12,16-tetraene (PubChem CID 54472715) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is icosa-4,8,12,16-tetraene.

Molecular Properties

Compound Nameicosa-4,8,12,16-tetraene
PubChem CID54472715
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Nameicosa-4,8,12,16-tetraene
SMILESCCCC=CCCC=CCCC=CCCC=CCCC
InChIInChI=1S/C20H34/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h7-10,15-18H,3-6,11-14,19-20H2,1-2H3
InChIKeyPRDSJIIKCXMUOR-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 icosa-4,8,12,16-tetraene?
The IUPAC name of icosa-4,8,12,16-tetraene (CID 54472715) is icosa-4,8,12,16-tetraene.
What is the SMILES notation for icosa-4,8,12,16-tetraene?
The canonical SMILES for icosa-4,8,12,16-tetraene is CCCC=CCCC=CCCC=CCCC=CCCC.
What is the InChIKey of icosa-4,8,12,16-tetraene?
The InChIKey is PRDSJIIKCXMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h7-10,15-18H,3-6,11-14,19-20H2,1-2H3.
What are the key properties of icosa-4,8,12,16-tetraene?
icosa-4,8,12,16-tetraene has a molecular weight of 274.49 g/mol, XLogP of 7.15, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-4,8,12,16-tetraene is sourced from PubChem (CID 54472715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).