tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane

C28H38OSSi — CID 10049458

IUPACtert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane
SMILESCCCCS/C=C1\CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C1C
InChIInChI=1S/C28H38OSSi/c1-6-7-20-30-22-24-21-25(19-18-23(24)2)29-31(28(3,4)5,26-14-10-8-11-15-26)27-16-12-9-13-17-27/h8-18,22,25H,6-7,19-21H2,1-5H3/b24-22+
InChIKeyXISWGDPEGJHTAA-ZNTNEXAZSA-N
MW450.76 g/mol
LogP7.09
Rot. Bonds8

About tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane

tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane (PubChem CID 10049458) has the molecular formula C28H38OSSi and a molecular weight of 450.76 g/mol. Its IUPAC name is tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane
PubChem CID10049458
Molecular FormulaC28H38OSSi
Molecular Weight450.76 g/mol
Exact Mass450.24
IUPAC Nametert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane
SMILESCCCCS/C=C1\CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C1C
InChIInChI=1S/C28H38OSSi/c1-6-7-20-30-22-24-21-25(19-18-23(24)2)29-31(28(3,4)5,26-14-10-8-11-15-26)27-16-12-9-13-17-27/h8-18,22,25H,6-7,19-21H2,1-5H3/b24-22+
InChIKeyXISWGDPEGJHTAA-ZNTNEXAZSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.76
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane 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
Tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
CID 10981586
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
tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane
CID 11501276
tert-butyl-[[(2S)-5-tert-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 11732356
tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191432

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane (CID 10049458) is tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane is CCCCS/C=C1\CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C1C.
What is the InChIKey of tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane?
The InChIKey is XISWGDPEGJHTAA-ZNTNEXAZSA-N. The full InChI is InChI=1S/C28H38OSSi/c1-6-7-20-30-22-24-21-25(19-18-23(24)2)29-31(28(3,4)5,26-14-10-8-11-15-26)27-16-12-9-13-17-27/h8-18,22,25H,6-7,19-21H2,1-5H3/b24-22+.
What are the key properties of tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane?
tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane has a molecular weight of 450.76 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane is sourced from PubChem (CID 10049458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).