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

C25H34OSSi — CID 15191434

IUPACtert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
SMILESCCCCC1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C25H34OSSi/c1-5-6-13-21-18-19-22(27-21)20-26-28(25(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-18,22H,5-6,13,19-20H2,1-4H3/t22-/m0/s1
InChIKeyCWNQNISATTYFDZ-QFIPXVFZSA-N
MW410.70 g/mol
LogP6.14
Rot. Bonds8

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

tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane (PubChem CID 15191434) has the molecular formula C25H34OSSi and a molecular weight of 410.70 g/mol. Its IUPAC name is tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
PubChem CID15191434
Molecular FormulaC25H34OSSi
Molecular Weight410.70 g/mol
Exact Mass410.21
IUPAC Nametert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
SMILESCCCCC1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C25H34OSSi/c1-5-6-13-21-18-19-22(27-21)20-26-28(25(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-18,22H,5-6,13,19-20H2,1-4H3/t22-/m0/s1
InChIKeyCWNQNISATTYFDZ-QFIPXVFZSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 56.14
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
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CID 168266633
Butoxy-tert-butyl-diphenylsilane
CID 3597126
tert-Butyl(pent-4-en-1-yloxy)diphenylsilane
CID 10829859
(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
[Cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane
CID 10354881
tert-butyl-[(4E,6E)-7-methylnona-4,6,8-trienoxy]-diphenylsilane
CID 10715456

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane (CID 15191434) is tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane is CCCCC1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1.
What is the InChIKey of tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?
The InChIKey is CWNQNISATTYFDZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H34OSSi/c1-5-6-13-21-18-19-22(27-21)20-26-28(25(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-18,22H,5-6,13,19-20H2,1-4H3/t22-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane has a molecular weight of 410.70 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 15191434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).