[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane

C11H17N3OSi — CID 3780985

IUPAC[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
SMILESCOC(n1nnc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C11H17N3OSi/c1-15-11(16(2,3)4)14-10-8-6-5-7-9(10)12-13-14/h5-8,11H,1-4H3
InChIKeyQSDPOLXIJXDPKU-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.45
Rot. Bonds3

About [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane

[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane (PubChem CID 3780985) has the molecular formula C11H17N3OSi and a molecular weight of 235.36 g/mol. Its IUPAC name is [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane.

Molecular Properties

Compound Name[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
PubChem CID3780985
Molecular FormulaC11H17N3OSi
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
SMILESCOC(n1nnc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C11H17N3OSi/c1-15-11(16(2,3)4)14-10-8-6-5-7-9(10)12-13-14/h5-8,11H,1-4H3
InChIKeyQSDPOLXIJXDPKU-UHFFFAOYSA-N
XLogP2.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
[benzotriazol-1-yl(phenylsulfanyl)methyl]-trimethylsilane
CID 4270717
methane;1-methoxybenzotriazole
CID 161160564
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
CID 4562085
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
CID 3827828
4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline
CID 3784942
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
1-(benzotriazol-1-yl)prop-2-enyliminophosphanium
CID 173283715

Frequently Asked Questions

What is the IUPAC name of [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane?
The IUPAC name of [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane (CID 3780985) is [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane.
What is the SMILES notation for [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane?
The canonical SMILES for [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane is COC(n1nnc2ccccc21)[Si](C)(C)C.
What is the InChIKey of [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane?
The InChIKey is QSDPOLXIJXDPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OSi/c1-15-11(16(2,3)4)14-10-8-6-5-7-9(10)12-13-14/h5-8,11H,1-4H3.
What are the key properties of [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane?
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane has a molecular weight of 235.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzotriazol-1-yl(methoxy)methyl]-trimethylsilane is sourced from PubChem (CID 3780985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).