1-[(Z)-octadec-9-enyl]tetrazole

C19H36N4 — CID 139706978

IUPAC1-[(Z)-octadec-9-enyl]tetrazole
SMILESCCCCCCCC/C=C\CCCCCCCCn1cnnn1
InChIInChI=1S/C19H36N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-21-22-23/h9-10,19H,2-8,11-18H2,1H3/b10-9-
InChIKeyXEABFPXHLXSRQA-KTKRTIGZSA-N
MW320.52 g/mol
LogP5.71
Rot. Bonds16

About 1-[(Z)-octadec-9-enyl]tetrazole

1-[(Z)-octadec-9-enyl]tetrazole (PubChem CID 139706978) has the molecular formula C19H36N4 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-[(Z)-octadec-9-enyl]tetrazole.

Molecular Properties

Compound Name1-[(Z)-octadec-9-enyl]tetrazole
PubChem CID139706978
Molecular FormulaC19H36N4
Molecular Weight320.52 g/mol
Exact Mass320.29
IUPAC Name1-[(Z)-octadec-9-enyl]tetrazole
SMILESCCCCCCCC/C=C\CCCCCCCCn1cnnn1
InChIInChI=1S/C19H36N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-21-22-23/h9-10,19H,2-8,11-18H2,1H3/b10-9-
InChIKeyXEABFPXHLXSRQA-KTKRTIGZSA-N
XLogP5.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[(Z)-octadec-9-enyl]tetrazole?
The IUPAC name of 1-[(Z)-octadec-9-enyl]tetrazole (CID 139706978) is 1-[(Z)-octadec-9-enyl]tetrazole.
What is the SMILES notation for 1-[(Z)-octadec-9-enyl]tetrazole?
The canonical SMILES for 1-[(Z)-octadec-9-enyl]tetrazole is CCCCCCCC/C=C\CCCCCCCCn1cnnn1.
What is the InChIKey of 1-[(Z)-octadec-9-enyl]tetrazole?
The InChIKey is XEABFPXHLXSRQA-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H36N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-21-22-23/h9-10,19H,2-8,11-18H2,1H3/b10-9-.
What are the key properties of 1-[(Z)-octadec-9-enyl]tetrazole?
1-[(Z)-octadec-9-enyl]tetrazole has a molecular weight of 320.52 g/mol, XLogP of 5.71, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-octadec-9-enyl]tetrazole is sourced from PubChem (CID 139706978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).