tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane

C20H32O3Si — CID 117070801

IUPACtert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane
SMILESC=C[C@]1(OCc2ccccc2)COC1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O3Si/c1-7-20(22-15-17-11-9-8-10-12-17)16-21-18(20)13-14-23-24(5,6)19(2,3)4/h7-12,18H,1,13-16H2,2-6H3/t18?,20-/m0/s1
InChIKeyJYJSDZBGMBHQHA-IJHRGXPZSA-N
MW348.56 g/mol
LogP4.94
Rot. Bonds8

About tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane (PubChem CID 117070801) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane
PubChem CID117070801
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Nametert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane
SMILESC=C[C@]1(OCc2ccccc2)COC1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O3Si/c1-7-20(22-15-17-11-9-8-10-12-17)16-21-18(20)13-14-23-24(5,6)19(2,3)4/h7-12,18H,1,13-16H2,2-6H3/t18?,20-/m0/s1
InChIKeyJYJSDZBGMBHQHA-IJHRGXPZSA-N
XLogP4.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane 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

[(2S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(4-methoxyphenyl)-5-phenylmethoxy-1,3-dioxan-5-yl]methyl 2,2-dimethylpropanoate
CID 100966681
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
CID 100966683
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
benzyl N-[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]carbamate
CID 148595263
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
(1R,5S,6S,7R,8S,9R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]-3-methyl-9-phenylmethoxy-8-prop-2-enoxy-2,4-dioxabicyclo[3.3.1]nonan-7-ol
CID 11398320

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane (CID 117070801) is tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane is C=C[C@]1(OCc2ccccc2)COC1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane?
The InChIKey is JYJSDZBGMBHQHA-IJHRGXPZSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-7-20(22-15-17-11-9-8-10-12-17)16-21-18(20)13-14-23-24(5,6)19(2,3)4/h7-12,18H,1,13-16H2,2-6H3/t18?,20-/m0/s1.
What are the key properties of tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane has a molecular weight of 348.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(3S)-3-ethenyl-3-phenylmethoxyoxetan-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 117070801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).