(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride

C22H31ClO — CID 46928339

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Cl
InChIInChI=1S/C22H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyQUABXVPAILNJRV-KUBAVDMBSA-N
MW346.94 g/mol
LogP7.23
Rot. Bonds14

About (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride

(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride (PubChem CID 46928339) has the molecular formula C22H31ClO and a molecular weight of 346.94 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride
PubChem CID46928339
Molecular FormulaC22H31ClO
Molecular Weight346.94 g/mol
Exact Mass346.21
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Cl
InChIInChI=1S/C22H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyQUABXVPAILNJRV-KUBAVDMBSA-N
XLogP7.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.94
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 4168568
Arachidonoyl chloride
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4-Decenoyl chloride
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Crotyl acetylchloride
CID 54191606
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoylchloride
CID 58160533
(E)-oct-4-enedioyl dichloride
CID 59029064
12-Octadecadienoyl chloride
CID 129853473
Octadeca-6,9,12-trienoyl chloride
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(z)-5-Decenoyl chloride
CID 129776010
8-Methyl-4-nonenoyl chloride
CID 129822619

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride (CID 46928339) is (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Cl.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride?
The InChIKey is QUABXVPAILNJRV-KUBAVDMBSA-N. The full InChI is InChI=1S/C22H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride?
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride has a molecular weight of 346.94 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride is sourced from PubChem (CID 46928339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).