(Z)-docos-13-enoyl chloride

C22H41ClO — CID 5364502

IUPAC(Z)-docos-13-enoyl chloride
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)Cl
InChIInChI=1S/C22H41ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3/b10-9-
InChIKeyJNKSXSJNLXMTSV-KTKRTIGZSA-N
MW357.02 g/mol
LogP8.35
Rot. Bonds19

About (Z)-docos-13-enoyl chloride

(Z)-docos-13-enoyl chloride (PubChem CID 5364502) has the molecular formula C22H41ClO and a molecular weight of 357.02 g/mol. Its IUPAC name is (Z)-docos-13-enoyl chloride.

Molecular Properties

Compound Name(Z)-docos-13-enoyl chloride
PubChem CID5364502
Molecular FormulaC22H41ClO
Molecular Weight357.02 g/mol
Exact Mass356.28
IUPAC Name(Z)-docos-13-enoyl chloride
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)Cl
InChIInChI=1S/C22H41ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3/b10-9-
InChIKeyJNKSXSJNLXMTSV-KTKRTIGZSA-N
XLogP8.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.02
LogP ≤ 58.35
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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Frequently Asked Questions

What is the IUPAC name of (Z)-docos-13-enoyl chloride?
The IUPAC name of (Z)-docos-13-enoyl chloride (CID 5364502) is (Z)-docos-13-enoyl chloride.
What is the SMILES notation for (Z)-docos-13-enoyl chloride?
The canonical SMILES for (Z)-docos-13-enoyl chloride is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)Cl.
What is the InChIKey of (Z)-docos-13-enoyl chloride?
The InChIKey is JNKSXSJNLXMTSV-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H41ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3/b10-9-.
What are the key properties of (Z)-docos-13-enoyl chloride?
(Z)-docos-13-enoyl chloride has a molecular weight of 357.02 g/mol, XLogP of 8.35, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-docos-13-enoyl chloride is sourced from PubChem (CID 5364502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).