benzotriazol-2-ylmethyl(trimethoxy)silane

C10H15N3O3Si — CID 12964284

IUPACbenzotriazol-2-ylmethyl(trimethoxy)silane
SMILESCO[Si](Cn1nc2ccccc2n1)(OC)OC
InChIInChI=1S/C10H15N3O3Si/c1-14-17(15-2,16-3)8-13-11-9-6-4-5-7-10(9)12-13/h4-7H,8H2,1-3H3
InChIKeyCEHKMGJZZKXAAL-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.85
Rot. Bonds5

About benzotriazol-2-ylmethyl(trimethoxy)silane

benzotriazol-2-ylmethyl(trimethoxy)silane (PubChem CID 12964284) has the molecular formula C10H15N3O3Si and a molecular weight of 253.33 g/mol. Its IUPAC name is benzotriazol-2-ylmethyl(trimethoxy)silane.

Molecular Properties

Compound Namebenzotriazol-2-ylmethyl(trimethoxy)silane
PubChem CID12964284
Molecular FormulaC10H15N3O3Si
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Namebenzotriazol-2-ylmethyl(trimethoxy)silane
SMILESCO[Si](Cn1nc2ccccc2n1)(OC)OC
InChIInChI=1S/C10H15N3O3Si/c1-14-17(15-2,16-3)8-13-11-9-6-4-5-7-10(9)12-13/h4-7H,8H2,1-3H3
InChIKeyCEHKMGJZZKXAAL-UHFFFAOYSA-N
XLogP0.85
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-2-ylmethyl(trimethoxy)silane?
The IUPAC name of benzotriazol-2-ylmethyl(trimethoxy)silane (CID 12964284) is benzotriazol-2-ylmethyl(trimethoxy)silane.
What is the SMILES notation for benzotriazol-2-ylmethyl(trimethoxy)silane?
The canonical SMILES for benzotriazol-2-ylmethyl(trimethoxy)silane is CO[Si](Cn1nc2ccccc2n1)(OC)OC.
What is the InChIKey of benzotriazol-2-ylmethyl(trimethoxy)silane?
The InChIKey is CEHKMGJZZKXAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3Si/c1-14-17(15-2,16-3)8-13-11-9-6-4-5-7-10(9)12-13/h4-7H,8H2,1-3H3.
What are the key properties of benzotriazol-2-ylmethyl(trimethoxy)silane?
benzotriazol-2-ylmethyl(trimethoxy)silane has a molecular weight of 253.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-2-ylmethyl(trimethoxy)silane is sourced from PubChem (CID 12964284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).