(Z)-octadec-6-enoyl chloride

C18H33ClO — CID 87496565

IUPAC(Z)-octadec-6-enoyl chloride
SMILESCCCCCCCCCCC/C=C\CCCCC(=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/h12-13H,2-11,14-17H2,1H3/b13-12-
InChIKeyITHPEKLHWJURIR-SEYXRHQNSA-N
MW300.91 g/mol
LogP6.79
Rot. Bonds15

About (Z)-octadec-6-enoyl chloride

(Z)-octadec-6-enoyl chloride (PubChem CID 87496565) has the molecular formula C18H33ClO and a molecular weight of 300.91 g/mol. Its IUPAC name is (Z)-octadec-6-enoyl chloride.

Molecular Properties

Compound Name(Z)-octadec-6-enoyl chloride
PubChem CID87496565
Molecular FormulaC18H33ClO
Molecular Weight300.91 g/mol
Exact Mass300.22
IUPAC Name(Z)-octadec-6-enoyl chloride
SMILESCCCCCCCCCCC/C=C\CCCCC(=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/h12-13H,2-11,14-17H2,1H3/b13-12-
InChIKeyITHPEKLHWJURIR-SEYXRHQNSA-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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Related Compounds

(E)-hexadec-9-enoyl chloride
CID 6272807
hexadec-9-enoyl chloride
CID 5109845
(Z)-heptadec-10-enoyl chloride
CID 14430044
(Z)-octadec-9-enoyl chloride;dihydrochloride
CID 141041572
(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
(E)-triacont-15-ene-8,23-dione
CID 11849500
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
docos-13-enoic acid
CID 173024393
nonacos-6-enoic acid
CID 169277319

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-6-enoyl chloride?
The IUPAC name of (Z)-octadec-6-enoyl chloride (CID 87496565) is (Z)-octadec-6-enoyl chloride.
What is the SMILES notation for (Z)-octadec-6-enoyl chloride?
The canonical SMILES for (Z)-octadec-6-enoyl chloride is CCCCCCCCCCC/C=C\CCCCC(=O)Cl.
What is the InChIKey of (Z)-octadec-6-enoyl chloride?
The InChIKey is ITHPEKLHWJURIR-SEYXRHQNSA-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/h12-13H,2-11,14-17H2,1H3/b13-12-.
What are the key properties of (Z)-octadec-6-enoyl chloride?
(Z)-octadec-6-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-6-enoyl chloride is sourced from PubChem (CID 87496565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).