tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane

C22H28OSSi — CID 15191432

IUPACtert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
SMILESCC1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C22H28OSSi/c1-18-15-16-19(24-18)17-23-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,19H,16-17H2,1-4H3/t19-/m0/s1
InChIKeyKQAHHDQQUDANQR-IBGZPJMESA-N
MW368.62 g/mol
LogP4.97
Rot. Bonds5

About tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane (PubChem CID 15191432) has the molecular formula C22H28OSSi and a molecular weight of 368.62 g/mol. Its IUPAC name is tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
PubChem CID15191432
Molecular FormulaC22H28OSSi
Molecular Weight368.62 g/mol
Exact Mass368.16
IUPAC Nametert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
SMILESCC1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C22H28OSSi/c1-18-15-16-19(24-18)17-23-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,19H,16-17H2,1-4H3/t19-/m0/s1
InChIKeyKQAHHDQQUDANQR-IBGZPJMESA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorothiolan-2-one
CID 13009258
Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
Butoxy-tert-butyl-diphenylsilane
CID 3597126
tert-Butyl(pent-4-en-1-yloxy)diphenylsilane
CID 10829859
Tert-butyl-pentoxy-diphenylsilane
CID 10925447
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
(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
Tert-butyl-hexa-4,5-dienoxy-diphenylsilane
CID 9986315

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane (CID 15191432) is tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane is CC1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1.
What is the InChIKey of tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?
The InChIKey is KQAHHDQQUDANQR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28OSSi/c1-18-15-16-19(24-18)17-23-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,19H,16-17H2,1-4H3/t19-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane has a molecular weight of 368.62 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 15191432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).