1-chlorooctadec-9-ene

C18H35Cl — CID 558046

IUPAC1-chlorooctadec-9-ene
SMILESCCCCCCCCC=CCCCCCCCCCl
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
InChIKeyIFABLCIRROMTAN-UHFFFAOYSA-N
MW286.93 g/mol
LogP7.26
Rot. Bonds15

About 1-chlorooctadec-9-ene

1-chlorooctadec-9-ene (PubChem CID 558046) has the molecular formula C18H35Cl and a molecular weight of 286.93 g/mol. Its IUPAC name is 1-chlorooctadec-9-ene.

Molecular Properties

Compound Name1-chlorooctadec-9-ene
PubChem CID558046
Molecular FormulaC18H35Cl
Molecular Weight286.93 g/mol
Exact Mass286.24
IUPAC Name1-chlorooctadec-9-ene
SMILESCCCCCCCCC=CCCCCCCCCCl
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
InChIKeyIFABLCIRROMTAN-UHFFFAOYSA-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'}

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Related Compounds

(E)-1-chloroheptadec-7-ene
CID 5364485
1-chlorotridec-4-ene
CID 54390291
1-chlorodec-5-ene
CID 3085570
(Z)-10-chlorodec-4-ene
CID 14373086
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of 1-chlorooctadec-9-ene?
The IUPAC name of 1-chlorooctadec-9-ene (CID 558046) is 1-chlorooctadec-9-ene.
What is the SMILES notation for 1-chlorooctadec-9-ene?
The canonical SMILES for 1-chlorooctadec-9-ene is CCCCCCCCC=CCCCCCCCCCl.
What is the InChIKey of 1-chlorooctadec-9-ene?
The InChIKey is IFABLCIRROMTAN-UHFFFAOYSA-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.
What are the key properties of 1-chlorooctadec-9-ene?
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 1-chlorooctadec-9-ene is sourced from PubChem (CID 558046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).