(11Z,14Z)-icosa-11,14-dienoyl chloride

C20H35ClO — CID 124636194

IUPAC(11Z,14Z)-icosa-11,14-dienoyl chloride
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)Cl
InChIInChI=1S/C20H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9-
InChIKeyKMZUNTCKMIEYHF-HZJYTTRNSA-N
MW326.95 g/mol
LogP7.35
Rot. Bonds16

About (11Z,14Z)-icosa-11,14-dienoyl chloride

(11Z,14Z)-icosa-11,14-dienoyl chloride (PubChem CID 124636194) has the molecular formula C20H35ClO and a molecular weight of 326.95 g/mol. Its IUPAC name is (11Z,14Z)-icosa-11,14-dienoyl chloride.

Molecular Properties

Compound Name(11Z,14Z)-icosa-11,14-dienoyl chloride
PubChem CID124636194
Molecular FormulaC20H35ClO
Molecular Weight326.95 g/mol
Exact Mass326.24
IUPAC Name(11Z,14Z)-icosa-11,14-dienoyl chloride
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)Cl
InChIInChI=1S/C20H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9-
InChIKeyKMZUNTCKMIEYHF-HZJYTTRNSA-N
XLogP7.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.95
LogP ≤ 57.35
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

(5E,8E,11E)-icosa-5,8,11-trienoyl chloride
CID 90092049
hexadec-9-enoyl chloride
CID 5109845
(E)-hexadec-9-enoyl chloride
CID 6272807
(Z)-octadec-6-enoyl chloride
CID 87496565
(Z)-heptadec-10-enoyl chloride
CID 14430044
(Z)-octadec-9-enoyl chloride;dihydrochloride
CID 141041572
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
hexacosa-17,20-dien-9-one
CID 163047379
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161
(Z)-octadec-9-enoyl chloride;pyridine
CID 159292084
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-icosa-11,14-dienoyl chloride?
The IUPAC name of (11Z,14Z)-icosa-11,14-dienoyl chloride (CID 124636194) is (11Z,14Z)-icosa-11,14-dienoyl chloride.
What is the SMILES notation for (11Z,14Z)-icosa-11,14-dienoyl chloride?
The canonical SMILES for (11Z,14Z)-icosa-11,14-dienoyl chloride is CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)Cl.
What is the InChIKey of (11Z,14Z)-icosa-11,14-dienoyl chloride?
The InChIKey is KMZUNTCKMIEYHF-HZJYTTRNSA-N. The full InChI is InChI=1S/C20H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9-.
What are the key properties of (11Z,14Z)-icosa-11,14-dienoyl chloride?
(11Z,14Z)-icosa-11,14-dienoyl chloride has a molecular weight of 326.95 g/mol, XLogP of 7.35, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-icosa-11,14-dienoyl chloride is sourced from PubChem (CID 124636194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).