(Z)-1-chlorooctadec-9-ene

C18H35Cl — CID 5367784

IUPAC(Z)-1-chlorooctadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCCl
InChIInChI=1S/C18H35Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKeyIFABLCIRROMTAN-KTKRTIGZSA-N
MW286.93 g/mol
LogP7.26
Rot. Bonds15

About (Z)-1-chlorooctadec-9-ene

(Z)-1-chlorooctadec-9-ene (PubChem CID 5367784) has the molecular formula C18H35Cl and a molecular weight of 286.93 g/mol. Its IUPAC name is (Z)-1-chlorooctadec-9-ene.

Molecular Properties

Compound Name(Z)-1-chlorooctadec-9-ene
PubChem CID5367784
Molecular FormulaC18H35Cl
Molecular Weight286.93 g/mol
Exact Mass286.24
IUPAC Name(Z)-1-chlorooctadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCCl
InChIInChI=1S/C18H35Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKeyIFABLCIRROMTAN-KTKRTIGZSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.93
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-1-chlorooctadec-9-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chlorooctadec-9-ene?
The IUPAC name of (Z)-1-chlorooctadec-9-ene (CID 5367784) is (Z)-1-chlorooctadec-9-ene.
What is the SMILES notation for (Z)-1-chlorooctadec-9-ene?
The canonical SMILES for (Z)-1-chlorooctadec-9-ene is CCCCCCCC/C=C\CCCCCCCCCl.
What is the InChIKey of (Z)-1-chlorooctadec-9-ene?
The InChIKey is IFABLCIRROMTAN-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H35Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-.
What are the key properties of (Z)-1-chlorooctadec-9-ene?
(Z)-1-chlorooctadec-9-ene has a molecular weight of 286.93 g/mol, XLogP of 7.26, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chlorooctadec-9-ene is sourced from PubChem (CID 5367784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).