(Z)-octadec-9-enoyl chloride;pyridine

C23H38ClNO — CID 159292084

IUPAC(Z)-octadec-9-enoyl chloride;pyridine
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Cl.c1ccncc1
InChIInChI=1S/C18H33ClO.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1/h9-10H,2-8,11-17H2,1H3;1-5H/b10-9-;
InChIKeyLAGGYCWCZWXIJZ-KVVVOXFISA-N
MW380.02 g/mol
LogP7.87
Rot. Bonds15

About (Z)-octadec-9-enoyl chloride;pyridine

(Z)-octadec-9-enoyl chloride;pyridine (PubChem CID 159292084) has the molecular formula C23H38ClNO and a molecular weight of 380.02 g/mol. Its IUPAC name is (Z)-octadec-9-enoyl chloride;pyridine.

Molecular Properties

Compound Name(Z)-octadec-9-enoyl chloride;pyridine
PubChem CID159292084
Molecular FormulaC23H38ClNO
Molecular Weight380.02 g/mol
Exact Mass379.26
IUPAC Name(Z)-octadec-9-enoyl chloride;pyridine
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Cl.c1ccncc1
InChIInChI=1S/C18H33ClO.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1/h9-10H,2-8,11-17H2,1H3;1-5H/b10-9-;
InChIKeyLAGGYCWCZWXIJZ-KVVVOXFISA-N
XLogP7.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.02
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-hexadec-9-enoyl chloride
CID 6272807
hexadec-9-enoyl chloride
CID 5109845
(Z)-octadec-6-enoyl chloride
CID 87496565
(Z)-heptadec-10-enoyl chloride
CID 14430044
(11Z,14Z)-icosa-11,14-dienoyl chloride
CID 124636194
(Z)-octadec-9-enoyl chloride;dihydrochloride
CID 141041572
(Z)-octadec-9-enoyl chloride;toluene
CID 175284175
(5E,8E,11E)-icosa-5,8,11-trienoyl chloride
CID 90092049
benzene;hexanoyl chloride
CID 174698331
octadecanoic acid;pyridine
CID 67593140
tris((Z)-icos-9-enoic acid);yttrium
CID 155704235
gadolinium;tris((Z)-hexadec-9-enoic acid)
CID 155704276

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enoyl chloride;pyridine?
The IUPAC name of (Z)-octadec-9-enoyl chloride;pyridine (CID 159292084) is (Z)-octadec-9-enoyl chloride;pyridine.
What is the SMILES notation for (Z)-octadec-9-enoyl chloride;pyridine?
The canonical SMILES for (Z)-octadec-9-enoyl chloride;pyridine is CCCCCCCC/C=C\CCCCCCCC(=O)Cl.c1ccncc1.
What is the InChIKey of (Z)-octadec-9-enoyl chloride;pyridine?
The InChIKey is LAGGYCWCZWXIJZ-KVVVOXFISA-N. The full InChI is InChI=1S/C18H33ClO.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1/h9-10H,2-8,11-17H2,1H3;1-5H/b10-9-;.
What are the key properties of (Z)-octadec-9-enoyl chloride;pyridine?
(Z)-octadec-9-enoyl chloride;pyridine has a molecular weight of 380.02 g/mol, XLogP of 7.87, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-enoyl chloride;pyridine is sourced from PubChem (CID 159292084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).