(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride

C20H29ClO — CID 58160533

IUPAC(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl
InChIInChI=1S/C20H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyMPMQIVKVFWGFFE-JLNKQSITSA-N
MW320.90 g/mol
LogP6.67
Rot. Bonds13

About (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride

(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride (PubChem CID 58160533) has the molecular formula C20H29ClO and a molecular weight of 320.90 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride
PubChem CID58160533
Molecular FormulaC20H29ClO
Molecular Weight320.90 g/mol
Exact Mass320.19
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl
InChIInChI=1S/C20H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyMPMQIVKVFWGFFE-JLNKQSITSA-N
XLogP6.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.90
LogP ≤ 56.67
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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Related Compounds

Oleoyl chloride
CID 5364783
Linoleoyl chloride
CID 9817754
9,12-Octadecadienoyl chloride, (9Z,12Z)-
CID 5365578
(9Z,12Z,15Z)-9,12,15-Octadecatrienoyl chloride
CID 6436844
8-Methyl-6-nonenoyl chloride
CID 6442332
Erucoyl chloride
CID 5364502
Octadec-11-enoyl Chloride
CID 4245417
gamma-Linolenoyl Chloride
CID 11770936
9-Octadecenoyl chloride
CID 66987
Octadeca-9,12-dienoyl chloride
CID 98987
Elaidoyl chloride
CID 5702750
Icosa-5,8,11,14-tetraenoyl chloride
CID 4168568

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride (CID 58160533) is (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride?
The InChIKey is MPMQIVKVFWGFFE-JLNKQSITSA-N. The full InChI is InChI=1S/C20H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride?
(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride has a molecular weight of 320.90 g/mol, XLogP of 6.67, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride is sourced from PubChem (CID 58160533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).