benzotriazol-1-yloxy-tert-butyl-diphenylsilane

C22H23N3OSi — CID 71061634

IUPACbenzotriazol-1-yloxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](On1nnc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N3OSi/c1-22(2,3)27(18-12-6-4-7-13-18,19-14-8-5-9-15-19)26-25-21-17-11-10-16-20(21)23-24-25/h4-17H,1-3H3
InChIKeyGAKBIBBPSUTUTF-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.42
Rot. Bonds4

About benzotriazol-1-yloxy-tert-butyl-diphenylsilane

benzotriazol-1-yloxy-tert-butyl-diphenylsilane (PubChem CID 71061634) has the molecular formula C22H23N3OSi and a molecular weight of 373.53 g/mol. Its IUPAC name is benzotriazol-1-yloxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Namebenzotriazol-1-yloxy-tert-butyl-diphenylsilane
PubChem CID71061634
Molecular FormulaC22H23N3OSi
Molecular Weight373.53 g/mol
Exact Mass373.16
IUPAC Namebenzotriazol-1-yloxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](On1nnc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N3OSi/c1-22(2,3)27(18-12-6-4-7-13-18,19-14-8-5-9-15-19)26-25-21-17-11-10-16-20(21)23-24-25/h4-17H,1-3H3
InChIKeyGAKBIBBPSUTUTF-UHFFFAOYSA-N
XLogP3.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.42
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

tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
benzotriazol-1-yloxy-bis(dimethylamino)phosphanium
CID 19790982
1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
CID 141407796
N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
CID 159393127
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate
CID 140856559
benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane
CID 148781712
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
tris(benzotriazol-1-yl)-tert-butyl-λ4-sulfane
CID 146336808
(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
CID 130556874
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yloxy-tert-butyl-diphenylsilane?
The IUPAC name of benzotriazol-1-yloxy-tert-butyl-diphenylsilane (CID 71061634) is benzotriazol-1-yloxy-tert-butyl-diphenylsilane.
What is the SMILES notation for benzotriazol-1-yloxy-tert-butyl-diphenylsilane?
The canonical SMILES for benzotriazol-1-yloxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](On1nnc2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzotriazol-1-yloxy-tert-butyl-diphenylsilane?
The InChIKey is GAKBIBBPSUTUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OSi/c1-22(2,3)27(18-12-6-4-7-13-18,19-14-8-5-9-15-19)26-25-21-17-11-10-16-20(21)23-24-25/h4-17H,1-3H3.
What are the key properties of benzotriazol-1-yloxy-tert-butyl-diphenylsilane?
benzotriazol-1-yloxy-tert-butyl-diphenylsilane has a molecular weight of 373.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yloxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 71061634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).