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

C18H35Cl3O — CID 141041572

IUPAC(Z)-octadec-9-enoyl chloride;dihydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Cl.Cl.Cl
InChIInChI=1S/C18H33ClO.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3;2*1H/b10-9-;;
InChIKeyHRYKFUDKXPTQMI-XXAVUKJNSA-N
MW373.84 g/mol
LogP7.63
Rot. Bonds15

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

(Z)-octadec-9-enoyl chloride;dihydrochloride (PubChem CID 141041572) has the molecular formula C18H35Cl3O and a molecular weight of 373.84 g/mol. Its IUPAC name is (Z)-octadec-9-enoyl chloride;dihydrochloride.

Molecular Properties

Compound Name(Z)-octadec-9-enoyl chloride;dihydrochloride
PubChem CID141041572
Molecular FormulaC18H35Cl3O
Molecular Weight373.84 g/mol
Exact Mass372.18
IUPAC Name(Z)-octadec-9-enoyl chloride;dihydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Cl.Cl.Cl
InChIInChI=1S/C18H33ClO.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3;2*1H/b10-9-;;
InChIKeyHRYKFUDKXPTQMI-XXAVUKJNSA-N
XLogP7.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 57.63
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

(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
(5E,8E,11E)-icosa-5,8,11-trienoyl chloride
CID 90092049
(Z)-octadec-9-enoyl chloride;pyridine
CID 159292084
(Z)-octadec-9-enoyl chloride;toluene
CID 175284175
(Z)-hexadec-9-enoic acid;hydrochloride
CID 88612066
(E)-triacont-15-ene-8,23-dione
CID 11849500
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enoyl chloride;dihydrochloride?
The IUPAC name of (Z)-octadec-9-enoyl chloride;dihydrochloride (CID 141041572) is (Z)-octadec-9-enoyl chloride;dihydrochloride.
What is the SMILES notation for (Z)-octadec-9-enoyl chloride;dihydrochloride?
The canonical SMILES for (Z)-octadec-9-enoyl chloride;dihydrochloride is CCCCCCCC/C=C\CCCCCCCC(=O)Cl.Cl.Cl.
What is the InChIKey of (Z)-octadec-9-enoyl chloride;dihydrochloride?
The InChIKey is HRYKFUDKXPTQMI-XXAVUKJNSA-N. The full InChI is InChI=1S/C18H33ClO.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3;2*1H/b10-9-;;.
What are the key properties of (Z)-octadec-9-enoyl chloride;dihydrochloride?
(Z)-octadec-9-enoyl chloride;dihydrochloride has a molecular weight of 373.84 g/mol, XLogP of 7.63, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-enoyl chloride;dihydrochloride is sourced from PubChem (CID 141041572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).