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

C25H34OSSi — CID 15191436

IUPAC[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCC(C)C1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C25H34OSSi/c1-6-20(2)24-18-17-21(27-24)19-26-28(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,18,20-21H,6,17,19H2,1-5H3/t20?,21-/m0/s1
InChIKeyUONVRNSNOVIVLR-LBAQZLPGSA-N
MW410.70 g/mol
LogP6.00
Rot. Bonds7

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

[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 15191436) has the molecular formula C25H34OSSi and a molecular weight of 410.70 g/mol. Its IUPAC name is [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID15191436
Molecular FormulaC25H34OSSi
Molecular Weight410.70 g/mol
Exact Mass410.21
IUPAC Name[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCC(C)C1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C25H34OSSi/c1-6-20(2)24-18-17-21(27-24)19-26-28(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,18,20-21H,6,17,19H2,1-5H3/t20?,21-/m0/s1
InChIKeyUONVRNSNOVIVLR-LBAQZLPGSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 56.00
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

Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
(R)-tert-Butyldiphenylsilyl 2-methyl-4-pentenyl ether
CID 23727938
tert-Butyl(cyclopent-3-en-1-ylmethoxy)diphenylsilane
CID 24740328
Tert-butyl-(3-methylbutoxy)-diphenylsilane
CID 134886841
(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-(2-methylpent-4-enoxy)-diphenylsilane
CID 11393609
[Cyclopropyl(methylsulfanyl)methoxy]-dimethyl-phenylsilane
CID 10354881
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane
CID 10982624

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane (CID 15191436) is [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane is CCC(C)C1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1.
What is the InChIKey of [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is UONVRNSNOVIVLR-LBAQZLPGSA-N. The full InChI is InChI=1S/C25H34OSSi/c1-6-20(2)24-18-17-21(27-24)19-26-28(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,18,20-21H,6,17,19H2,1-5H3/t20?,21-/m0/s1.
What are the key properties of [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 410.70 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 15191436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).