1-(decoxymethyl)benzotriazole

C17H27N3O — CID 15637671

IUPAC1-(decoxymethyl)benzotriazole
SMILESCCCCCCCCCCOCn1nnc2ccccc21
InChIInChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-11-14-21-15-20-17-13-10-9-12-16(17)18-19-20/h9-10,12-13H,2-8,11,14-15H2,1H3
InChIKeyHJFNPXXCCQVQAH-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.55
Rot. Bonds11

About 1-(decoxymethyl)benzotriazole

1-(decoxymethyl)benzotriazole (PubChem CID 15637671) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(decoxymethyl)benzotriazole.

Molecular Properties

Compound Name1-(decoxymethyl)benzotriazole
PubChem CID15637671
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(decoxymethyl)benzotriazole
SMILESCCCCCCCCCCOCn1nnc2ccccc21
InChIInChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-11-14-21-15-20-17-13-10-9-12-16(17)18-19-20/h9-10,12-13H,2-8,11,14-15H2,1H3
InChIKeyHJFNPXXCCQVQAH-UHFFFAOYSA-N
XLogP4.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methylbenzotriazole
CID 25902
1H-Benzotriazole-1-methanol
CID 224169
1-Ethylbenzotriazole
CID 27939
1-(Methoxymethyl)-1H-benzotriazole
CID 542390
[3-(Benzotriazol-1-ylmethoxy)-2-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 25072272
1-Pentabenzotriazole
CID 3708772
1-Butyl-1H-benzotriazole
CID 4401906
1,3-Dimethyl-1H-benzotriazol-3-ium iodide
CID 31495
1H-Benzotriazolium, 1,2-dimethyl-, iodide
CID 60320
1-((Trimethylsilyl)methyl)benzotriazole
CID 3317323
1H-Benzotriazole-1-ethanol
CID 70313
1-octyl-1H-benzotriazole
CID 3678166

Frequently Asked Questions

What is the IUPAC name of 1-(decoxymethyl)benzotriazole?
The IUPAC name of 1-(decoxymethyl)benzotriazole (CID 15637671) is 1-(decoxymethyl)benzotriazole.
What is the SMILES notation for 1-(decoxymethyl)benzotriazole?
The canonical SMILES for 1-(decoxymethyl)benzotriazole is CCCCCCCCCCOCn1nnc2ccccc21.
What is the InChIKey of 1-(decoxymethyl)benzotriazole?
The InChIKey is HJFNPXXCCQVQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-11-14-21-15-20-17-13-10-9-12-16(17)18-19-20/h9-10,12-13H,2-8,11,14-15H2,1H3.
What are the key properties of 1-(decoxymethyl)benzotriazole?
1-(decoxymethyl)benzotriazole has a molecular weight of 289.42 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(decoxymethyl)benzotriazole is sourced from PubChem (CID 15637671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).