benzotriazol-2-yl(trimethoxy)silane

C9H13N3O3Si — CID 86005679

IUPACbenzotriazol-2-yl(trimethoxy)silane
SMILESCO[Si](OC)(OC)n1nc2ccccc2n1
InChIInChI=1S/C9H13N3O3Si/c1-13-16(14-2,15-3)12-10-8-6-4-5-7-9(8)11-12/h4-7H,1-3H3
InChIKeyCKLFNGNCWUCZLG-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.65
Rot. Bonds4

About benzotriazol-2-yl(trimethoxy)silane

benzotriazol-2-yl(trimethoxy)silane (PubChem CID 86005679) has the molecular formula C9H13N3O3Si and a molecular weight of 239.31 g/mol. Its IUPAC name is benzotriazol-2-yl(trimethoxy)silane.

Molecular Properties

Compound Namebenzotriazol-2-yl(trimethoxy)silane
PubChem CID86005679
Molecular FormulaC9H13N3O3Si
Molecular Weight239.31 g/mol
Exact Mass239.07
IUPAC Namebenzotriazol-2-yl(trimethoxy)silane
SMILESCO[Si](OC)(OC)n1nc2ccccc2n1
InChIInChI=1S/C9H13N3O3Si/c1-13-16(14-2,15-3)12-10-8-6-4-5-7-9(8)11-12/h4-7H,1-3H3
InChIKeyCKLFNGNCWUCZLG-UHFFFAOYSA-N
XLogP0.65
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,3S)-3-(benzotriazol-2-yl)butan-2-yl]benzotriazole
CID 40530281
2-iodobenzotriazole
CID 121405033
benzotriazol-2-ylalumane
CID 154405892
2-methylsulfonylbenzotriazole
CID 10397800
2-(benzotriazol-2-yldisulfanyl)benzotriazole
CID 118249510
methane;1-methoxybenzotriazole
CID 161160564
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
2-(tribromomethylsulfonyl)benzotriazole
CID 23330690
benzotriazole-2-carboxylic acid;ethane
CID 90724390
2-ethynylbenzotriazole
CID 102079904

Frequently Asked Questions

What is the IUPAC name of benzotriazol-2-yl(trimethoxy)silane?
The IUPAC name of benzotriazol-2-yl(trimethoxy)silane (CID 86005679) is benzotriazol-2-yl(trimethoxy)silane.
What is the SMILES notation for benzotriazol-2-yl(trimethoxy)silane?
The canonical SMILES for benzotriazol-2-yl(trimethoxy)silane is CO[Si](OC)(OC)n1nc2ccccc2n1.
What is the InChIKey of benzotriazol-2-yl(trimethoxy)silane?
The InChIKey is CKLFNGNCWUCZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3Si/c1-13-16(14-2,15-3)12-10-8-6-4-5-7-9(8)11-12/h4-7H,1-3H3.
What are the key properties of benzotriazol-2-yl(trimethoxy)silane?
benzotriazol-2-yl(trimethoxy)silane has a molecular weight of 239.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-2-yl(trimethoxy)silane is sourced from PubChem (CID 86005679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).