5-(4-tetradecoxyphenyl)-2H-tetrazole

C21H34N4O — CID 11653368

IUPAC5-(4-tetradecoxyphenyl)-2H-tetrazole
SMILESCCCCCCCCCCCCCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C21H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-20-16-14-19(15-17-20)21-22-24-25-23-21/h14-17H,2-13,18H2,1H3,(H,22,23,24,25)
InChIKeyHJDIFFHAISXCGC-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.95
Rot. Bonds15

About 5-(4-tetradecoxyphenyl)-2H-tetrazole

5-(4-tetradecoxyphenyl)-2H-tetrazole (PubChem CID 11653368) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-(4-tetradecoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-tetradecoxyphenyl)-2H-tetrazole
PubChem CID11653368
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name5-(4-tetradecoxyphenyl)-2H-tetrazole
SMILESCCCCCCCCCCCCCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C21H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-20-16-14-19(15-17-20)21-22-24-25-23-21/h14-17H,2-13,18H2,1H3,(H,22,23,24,25)
InChIKeyHJDIFFHAISXCGC-UHFFFAOYSA-N
XLogP5.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tetradecoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(4-tetradecoxyphenyl)-2H-tetrazole (CID 11653368) is 5-(4-tetradecoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-tetradecoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-tetradecoxyphenyl)-2H-tetrazole is CCCCCCCCCCCCCCOc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-tetradecoxyphenyl)-2H-tetrazole?
The InChIKey is HJDIFFHAISXCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-20-16-14-19(15-17-20)21-22-24-25-23-21/h14-17H,2-13,18H2,1H3,(H,22,23,24,25).
What are the key properties of 5-(4-tetradecoxyphenyl)-2H-tetrazole?
5-(4-tetradecoxyphenyl)-2H-tetrazole has a molecular weight of 358.53 g/mol, XLogP of 5.95, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tetradecoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 11653368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).