5-[(Z)-heptadec-8-enyl]-2H-tetrazole

C18H34N4 — CID 11088104

IUPAC5-[(Z)-heptadec-8-enyl]-2H-tetrazole
SMILESCCCCCCCC/C=C\CCCCCCCc1nn[nH]n1
InChIInChI=1S/C18H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-18/h9-10H,2-8,11-17H2,1H3,(H,19,20,21,22)/b10-9-
InChIKeyQUVXERWJNWRWRR-KTKRTIGZSA-N
MW306.50 g/mol
LogP5.39
Rot. Bonds15

About 5-[(Z)-heptadec-8-enyl]-2H-tetrazole

5-[(Z)-heptadec-8-enyl]-2H-tetrazole (PubChem CID 11088104) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 5-[(Z)-heptadec-8-enyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(Z)-heptadec-8-enyl]-2H-tetrazole
PubChem CID11088104
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name5-[(Z)-heptadec-8-enyl]-2H-tetrazole
SMILESCCCCCCCC/C=C\CCCCCCCc1nn[nH]n1
InChIInChI=1S/C18H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-18/h9-10H,2-8,11-17H2,1H3,(H,19,20,21,22)/b10-9-
InChIKeyQUVXERWJNWRWRR-KTKRTIGZSA-N
XLogP5.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(Z)-heptadec-8-enyl]-2H-tetrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-pentyl-2H-tetrazole
CID 139080284
N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
CID 118528577
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
5-(5-ethylundecyl)-2H-tetrazole
CID 129015561
nonacos-6-ene
CID 25200821
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-heptadec-8-enyl]-2H-tetrazole?
The IUPAC name of 5-[(Z)-heptadec-8-enyl]-2H-tetrazole (CID 11088104) is 5-[(Z)-heptadec-8-enyl]-2H-tetrazole.
What is the SMILES notation for 5-[(Z)-heptadec-8-enyl]-2H-tetrazole?
The canonical SMILES for 5-[(Z)-heptadec-8-enyl]-2H-tetrazole is CCCCCCCC/C=C\CCCCCCCc1nn[nH]n1.
What is the InChIKey of 5-[(Z)-heptadec-8-enyl]-2H-tetrazole?
The InChIKey is QUVXERWJNWRWRR-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-18/h9-10H,2-8,11-17H2,1H3,(H,19,20,21,22)/b10-9-.
What are the key properties of 5-[(Z)-heptadec-8-enyl]-2H-tetrazole?
5-[(Z)-heptadec-8-enyl]-2H-tetrazole has a molecular weight of 306.50 g/mol, XLogP of 5.39, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-heptadec-8-enyl]-2H-tetrazole is sourced from PubChem (CID 11088104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).