icosa-5,8,11,14-tetraenoyl chloride

C20H31ClO — CID 4168568

IUPACicosa-5,8,11,14-tetraenoyl chloride
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)Cl
InChIInChI=1S/C20H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3
InChIKeyNTBLHFFUSJRJQO-UHFFFAOYSA-N
MW322.92 g/mol
LogP6.90
Rot. Bonds14

About icosa-5,8,11,14-tetraenoyl chloride

icosa-5,8,11,14-tetraenoyl chloride (PubChem CID 4168568) has the molecular formula C20H31ClO and a molecular weight of 322.92 g/mol. Its IUPAC name is icosa-5,8,11,14-tetraenoyl chloride.

Molecular Properties

Compound Nameicosa-5,8,11,14-tetraenoyl chloride
PubChem CID4168568
Molecular FormulaC20H31ClO
Molecular Weight322.92 g/mol
Exact Mass322.21
IUPAC Nameicosa-5,8,11,14-tetraenoyl chloride
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)Cl
InChIInChI=1S/C20H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3
InChIKeyNTBLHFFUSJRJQO-UHFFFAOYSA-N
XLogP6.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.92
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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-5,8,11,14-tetraenoyl chloride?
The IUPAC name of icosa-5,8,11,14-tetraenoyl chloride (CID 4168568) is icosa-5,8,11,14-tetraenoyl chloride.
What is the SMILES notation for icosa-5,8,11,14-tetraenoyl chloride?
The canonical SMILES for icosa-5,8,11,14-tetraenoyl chloride is CCCCCC=CCC=CCC=CCC=CCCCC(=O)Cl.
What is the InChIKey of icosa-5,8,11,14-tetraenoyl chloride?
The InChIKey is NTBLHFFUSJRJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3.
What are the key properties of icosa-5,8,11,14-tetraenoyl chloride?
icosa-5,8,11,14-tetraenoyl chloride has a molecular weight of 322.92 g/mol, XLogP of 6.90, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-5,8,11,14-tetraenoyl chloride is sourced from PubChem (CID 4168568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).