(Z)-octadec-9-ene

C18H36 — CID 5352245

IUPAC(Z)-octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17-
InChIKeyHSNQNPCNYIJJHT-ZCXUNETKSA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds14

About (Z)-octadec-9-ene

(Z)-octadec-9-ene (PubChem CID 5352245) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (Z)-octadec-9-ene.

Molecular Properties

Compound Name(Z)-octadec-9-ene
PubChem CID5352245
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(Z)-octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17-
InChIKeyHSNQNPCNYIJJHT-ZCXUNETKSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-ene?
The IUPAC name of (Z)-octadec-9-ene (CID 5352245) is (Z)-octadec-9-ene.
What is the SMILES notation for (Z)-octadec-9-ene?
The canonical SMILES for (Z)-octadec-9-ene is CCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-octadec-9-ene?
The InChIKey is HSNQNPCNYIJJHT-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17-.
What are the key properties of (Z)-octadec-9-ene?
(Z)-octadec-9-ene has a molecular weight of 252.49 g/mol, XLogP of 7.04, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-ene is sourced from PubChem (CID 5352245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).