tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane

C16H28OSi — CID 177106743

IUPACtert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
SMILES[2H][C@H](c1ccccc1)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSi/c1-14(12-15-10-8-7-9-11-15)13-17-18(5,6)16(2,3)4/h7-11,14H,12-13H2,1-6H3/t14-/m1/s1/i12D/t12-,14+/m0
InChIKeyCBLKDBJJMDTGHT-WLLHCMBSSA-N
MW265.49 g/mol
LogP4.89
Rot. Bonds5

About tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane

tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane (PubChem CID 177106743) has the molecular formula C16H28OSi and a molecular weight of 265.49 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
PubChem CID177106743
Molecular FormulaC16H28OSi
Molecular Weight265.49 g/mol
Exact Mass265.20
IUPAC Nametert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
SMILES[2H][C@H](c1ccccc1)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSi/c1-14(12-15-10-8-7-9-11-15)13-17-18(5,6)16(2,3)4/h7-11,14H,12-13H2,1-6H3/t14-/m1/s1/i12D/t12-,14+/m0
InChIKeyCBLKDBJJMDTGHT-WLLHCMBSSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 54.89
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

tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal
CID 10872677
tert-butyl-dimethyl-[(2R)-2-methyl-3-pyridin-4-ylpropoxy]silane
CID 134942464
tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
CID 86287443
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-phenylmethoxyhexan-3-ol
CID 10546896
[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
CID 154709006

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane (CID 177106743) is tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane is [2H][C@H](c1ccccc1)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane?
The InChIKey is CBLKDBJJMDTGHT-WLLHCMBSSA-N. The full InChI is InChI=1S/C16H28OSi/c1-14(12-15-10-8-7-9-11-15)13-17-18(5,6)16(2,3)4/h7-11,14H,12-13H2,1-6H3/t14-/m1/s1/i12D/t12-,14+/m0.
What are the key properties of tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane has a molecular weight of 265.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane is sourced from PubChem (CID 177106743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).