tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane

C21H30OSi — CID 163281797

IUPACtert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane
SMILES[2H]C([2H])(CO[Si](C)(C)C(C)(C)C)C([2H])([2H])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H30OSi/c1-21(2,3)23(4,5)22-17-9-10-18-13-15-20(16-14-18)19-11-7-6-8-12-19/h6-8,11-16H,9-10,17H2,1-5H3/i9D2,10D2
InChIKeyIUKHTLHROOFKNO-YQUBHJMPSA-N
MW330.58 g/mol
LogP6.31
Rot. Bonds6

About tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane

tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane (PubChem CID 163281797) has the molecular formula C21H30OSi and a molecular weight of 330.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane
PubChem CID163281797
Molecular FormulaC21H30OSi
Molecular Weight330.58 g/mol
Exact Mass330.23
IUPAC Nametert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane
SMILES[2H]C([2H])(CO[Si](C)(C)C(C)(C)C)C([2H])([2H])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H30OSi/c1-21(2,3)23(4,5)22-17-9-10-18-13-15-20(16-14-18)19-11-7-6-8-12-19/h6-8,11-16H,9-10,17H2,1-5H3/i9D2,10D2
InChIKeyIUKHTLHROOFKNO-YQUBHJMPSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11128311
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tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
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tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
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tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
CID 102153241
tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane
CID 177326136
N-benzyl-5-[tert-butyl(dimethyl)silyl]oxypentan-1-amine
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tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
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tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane
CID 101433900
tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane
CID 18182550

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane (CID 163281797) is tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane is [2H]C([2H])(CO[Si](C)(C)C(C)(C)C)C([2H])([2H])c1ccc(-c2ccccc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane?
The InChIKey is IUKHTLHROOFKNO-YQUBHJMPSA-N. The full InChI is InChI=1S/C21H30OSi/c1-21(2,3)23(4,5)22-17-9-10-18-13-15-20(16-14-18)19-11-7-6-8-12-19/h6-8,11-16H,9-10,17H2,1-5H3/i9D2,10D2.
What are the key properties of tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane?
tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane has a molecular weight of 330.58 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane is sourced from PubChem (CID 163281797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).