2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane

C13H20BrN3OSi — CID 172723954

IUPAC2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nnc2cc(CBr)ccc21
InChIInChI=1S/C13H20BrN3OSi/c1-19(2,3)7-6-18-10-17-13-5-4-11(9-14)8-12(13)15-16-17/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyGWVBHKOSORIIML-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.64
Rot. Bonds6

About 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 172723954) has the molecular formula C13H20BrN3OSi and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID172723954
Molecular FormulaC13H20BrN3OSi
Molecular Weight342.31 g/mol
Exact Mass341.06
IUPAC Name2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nnc2cc(CBr)ccc21
InChIInChI=1S/C13H20BrN3OSi/c1-19(2,3)7-6-18-10-17-13-5-4-11(9-14)8-12(13)15-16-17/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyGWVBHKOSORIIML-UHFFFAOYSA-N
XLogP3.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-bromo-4-(methylsulfonylmethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 140700601
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine
CID 169206863
[5-[6-[1-(aminomethyl)benzotriazol-5-yl]hexyl]benzotriazol-1-yl]methanamine
CID 21254395
1-(phenylmethoxymethyl)benzotriazole
CID 3697434
(4-ethylphenyl) 1-ethylbenzotriazole-5-carboxylate
CID 18082407
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
trimethyl-[2-(thieno[2,3-d]pyrazol-1-ylmethoxy)ethyl]silane
CID 141109595
2-[[5-(3-methoxypropyl)indol-1-yl]methoxy]ethyl-trimethylsilane
CID 174503664

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane (CID 172723954) is 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nnc2cc(CBr)ccc21.
What is the InChIKey of 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is GWVBHKOSORIIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3OSi/c1-19(2,3)7-6-18-10-17-13-5-4-11(9-14)8-12(13)15-16-17/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 342.31 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 172723954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).