docosa-4,7,10,13,16,19-hexaenoyl chloride

C22H31ClO — CID 57304560

IUPACdocosa-4,7,10,13,16,19-hexaenoyl chloride
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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
InChIKeyQUABXVPAILNJRV-UHFFFAOYSA-N
MW346.94 g/mol
LogP7.23
Rot. Bonds14

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

docosa-4,7,10,13,16,19-hexaenoyl chloride (PubChem CID 57304560) has the molecular formula C22H31ClO and a molecular weight of 346.94 g/mol. Its IUPAC name is docosa-4,7,10,13,16,19-hexaenoyl chloride.

Molecular Properties

Compound Namedocosa-4,7,10,13,16,19-hexaenoyl chloride
PubChem CID57304560
Molecular FormulaC22H31ClO
Molecular Weight346.94 g/mol
Exact Mass346.21
IUPAC Namedocosa-4,7,10,13,16,19-hexaenoyl chloride
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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
InChIKeyQUABXVPAILNJRV-UHFFFAOYSA-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

(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
CID 91747987
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278
(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849

Frequently Asked Questions

What is the IUPAC name of docosa-4,7,10,13,16,19-hexaenoyl chloride?
The IUPAC name of docosa-4,7,10,13,16,19-hexaenoyl chloride (CID 57304560) is docosa-4,7,10,13,16,19-hexaenoyl chloride.
What is the SMILES notation for docosa-4,7,10,13,16,19-hexaenoyl chloride?
The canonical SMILES for docosa-4,7,10,13,16,19-hexaenoyl chloride is CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)Cl.
What is the InChIKey of docosa-4,7,10,13,16,19-hexaenoyl chloride?
The InChIKey is QUABXVPAILNJRV-UHFFFAOYSA-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.
What are the key properties of docosa-4,7,10,13,16,19-hexaenoyl chloride?
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 docosa-4,7,10,13,16,19-hexaenoyl chloride is sourced from PubChem (CID 57304560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).