tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane

C13H22OSi — CID 11075026

IUPACtert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
SMILES[2H]C[Si](C)(OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C13H22OSi/c1-13(2,3)15(4,5)14-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3/i4D
InChIKeyADJGQDWJHKPZGH-QYKNYGDISA-N
MW223.41 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane

tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane (PubChem CID 11075026) has the molecular formula C13H22OSi and a molecular weight of 223.41 g/mol. Its IUPAC name is tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane.

Molecular Properties

Compound Nametert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
PubChem CID11075026
Molecular FormulaC13H22OSi
Molecular Weight223.41 g/mol
Exact Mass223.15
IUPAC Nametert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
SMILES[2H]C[Si](C)(OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C13H22OSi/c1-13(2,3)15(4,5)14-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3/i4D
InChIKeyADJGQDWJHKPZGH-QYKNYGDISA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.41
LogP ≤ 54.21
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

[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
CID 86054113
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane?
The IUPAC name of tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane (CID 11075026) is tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane.
What is the SMILES notation for tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane?
The canonical SMILES for tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane is [2H]C[Si](C)(OCc1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane?
The InChIKey is ADJGQDWJHKPZGH-QYKNYGDISA-N. The full InChI is InChI=1S/C13H22OSi/c1-13(2,3)15(4,5)14-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3/i4D.
What are the key properties of tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane?
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane has a molecular weight of 223.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane is sourced from PubChem (CID 11075026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).