tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane

C33H46OSi — CID 135001610

IUPACtert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane
SMILESCCCCCCCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)c1ccccc1
InChIInChI=1S/C33H46OSi/c1-6-7-8-9-10-20-27-32(28(2)29-21-14-11-15-22-29)34-35(33(3,4)5,30-23-16-12-17-24-30)31-25-18-13-19-26-31/h11-19,21-26,28,32H,6-10,20,27H2,1-5H3
InChIKeyKTQBKKLBUMVSDX-UHFFFAOYSA-N
MW486.82 g/mol
LogP8.49
Rot. Bonds13

About tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane

tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane (PubChem CID 135001610) has the molecular formula C33H46OSi and a molecular weight of 486.82 g/mol. Its IUPAC name is tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane
PubChem CID135001610
Molecular FormulaC33H46OSi
Molecular Weight486.82 g/mol
Exact Mass486.33
IUPAC Nametert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane
SMILESCCCCCCCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)c1ccccc1
InChIInChI=1S/C33H46OSi/c1-6-7-8-9-10-20-27-32(28(2)29-21-14-11-15-22-29)34-35(33(3,4)5,30-23-16-12-17-24-30)31-25-18-13-19-26-31/h11-19,21-26,28,32H,6-10,20,27H2,1-5H3
InChIKeyKTQBKKLBUMVSDX-UHFFFAOYSA-N
XLogP8.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.82
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
Diphenyl(t-butyl)silyloxymethylbenzene
CID 563863
Silane, (diphenylmethoxy)trimethyl-
CID 597386
Silane, dimethylphenyl(1-phenylethoxy)-
CID 11054287
Trimethyl(triphenylmethoxy)silane
CID 11067560
chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane
CID 58895116
Dimethyl(diphenylmethoxy)phenylsilane
CID 3417473
tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
CID 132967113
(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
CID 135004524
[1-(4,4-Difluorocyclohexyl)-3-phenylpropoxy]-triethylsilane
CID 176433537
4-[Dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol
CID 10248860
1-[Dimethyl(phenyl)silyl]-1-phenyloctan-2-ol
CID 10735948

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane?
The IUPAC name of tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane (CID 135001610) is tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane is CCCCCCCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane?
The InChIKey is KTQBKKLBUMVSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46OSi/c1-6-7-8-9-10-20-27-32(28(2)29-21-14-11-15-22-29)34-35(33(3,4)5,30-23-16-12-17-24-30)31-25-18-13-19-26-31/h11-19,21-26,28,32H,6-10,20,27H2,1-5H3.
What are the key properties of tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane?
tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane has a molecular weight of 486.82 g/mol, XLogP of 8.49, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(2-phenylundecan-3-yloxy)silane is sourced from PubChem (CID 135001610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).