(Z)-octadec-9-enoyl chloride

C18H33ClO — CID 5364783

IUPAC(Z)-octadec-9-enoyl chloride
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Cl
InChIInChI=1S/C18H33ClO/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/b10-9-
InChIKeyMLQBTMWHIOYKKC-KTKRTIGZSA-N
MW300.91 g/mol
LogP6.79
Rot. Bonds15

About (Z)-octadec-9-enoyl chloride

(Z)-octadec-9-enoyl chloride (PubChem CID 5364783) has the molecular formula C18H33ClO and a molecular weight of 300.91 g/mol. Its IUPAC name is (Z)-octadec-9-enoyl chloride.

Molecular Properties

Compound Name(Z)-octadec-9-enoyl chloride
PubChem CID5364783
Molecular FormulaC18H33ClO
Molecular Weight300.91 g/mol
Exact Mass300.22
IUPAC Name(Z)-octadec-9-enoyl chloride
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Cl
InChIInChI=1S/C18H33ClO/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/b10-9-
InChIKeyMLQBTMWHIOYKKC-KTKRTIGZSA-N
XLogP6.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.91
LogP ≤ 56.79
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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Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enoyl chloride?
The IUPAC name of (Z)-octadec-9-enoyl chloride (CID 5364783) is (Z)-octadec-9-enoyl chloride.
What is the SMILES notation for (Z)-octadec-9-enoyl chloride?
The canonical SMILES for (Z)-octadec-9-enoyl chloride is CCCCCCCC/C=C\CCCCCCCC(=O)Cl.
What is the InChIKey of (Z)-octadec-9-enoyl chloride?
The InChIKey is MLQBTMWHIOYKKC-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H33ClO/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/b10-9-.
What are the key properties of (Z)-octadec-9-enoyl chloride?
(Z)-octadec-9-enoyl chloride has a molecular weight of 300.91 g/mol, XLogP of 6.79, 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 is sourced from PubChem (CID 5364783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).