tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane

C25H36OSSi2 — CID 15191439

IUPACtert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@@H]1CC=C(C[Si](C)(C)C)S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36OSSi2/c1-25(2,3)29(23-13-9-7-10-14-23,24-15-11-8-12-16-24)26-19-21-17-18-22(27-21)20-28(4,5)6/h7-16,18,21H,17,19-20H2,1-6H3/t21-/m0/s1
InChIKeyAAHPGJTYDJPFTM-NRFANRHFSA-N
MW440.80 g/mol
LogP6.29
Rot. Bonds7

About tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane

tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane (PubChem CID 15191439) has the molecular formula C25H36OSSi2 and a molecular weight of 440.80 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane
PubChem CID15191439
Molecular FormulaC25H36OSSi2
Molecular Weight440.80 g/mol
Exact Mass440.20
IUPAC Nametert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@@H]1CC=C(C[Si](C)(C)C)S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36OSSi2/c1-25(2,3)29(23-13-9-7-10-14-23,24-15-11-8-12-16-24)26-19-21-17-18-22(27-21)20-28(4,5)6/h7-16,18,21H,17,19-20H2,1-6H3/t21-/m0/s1
InChIKeyAAHPGJTYDJPFTM-NRFANRHFSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]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

Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
(E)-1-(t-BUTYLDIPHENYLSILYLOXY)-7-(1,3-DITHIA-2-CYCLOHEXYL)-6-FLUORO-5-HEPTENE
CID 18652647
tert-butyl-[(Z)-7-(1,3-dithian-2-yl)-6-fluorohept-5-enoxy]-diphenylsilane
CID 19752496
1-(t-Butyldiphenylsilyloxy)-7-(1,3-dithia-2-cyclohexyl)-6-fluoro-5-heptene
CID 53748011
1-(t-Butyldiphenylsilyoxy)-7-(1,3-dithia-2-cyclohexyl)-5-fluoro-5-heptene
CID 54411416
tert-butyl-[(E)-7-(1,3-dithian-2-yl)-5-fluorohept-5-enoxy]-diphenylsilane
CID 139774219
[Cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane
CID 10354881
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane
CID 10982624
Tert-butyl-[2-(2-methyl-1,3-dithian-2-yl)ethoxy]-diphenylsilane
CID 11004259
Trimethyl-(2-methylidene-6-phenylsulfanyl-4-trimethylsilyloxyhexyl)silane
CID 11132308
tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane
CID 11501276
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one
CID 11728378

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane (CID 15191439) is tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane is CC(C)(C)[Si](OC[C@@H]1CC=C(C[Si](C)(C)C)S1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane?
The InChIKey is AAHPGJTYDJPFTM-NRFANRHFSA-N. The full InChI is InChI=1S/C25H36OSSi2/c1-25(2,3)29(23-13-9-7-10-14-23,24-15-11-8-12-16-24)26-19-21-17-18-22(27-21)20-28(4,5)6/h7-16,18,21H,17,19-20H2,1-6H3/t21-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane?
tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane has a molecular weight of 440.80 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane is sourced from PubChem (CID 15191439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).