tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane

C34H46OSSi2 — CID 134847832

IUPACtert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane
SMILESCCCCS/C(=C1/C(C)CC1O[Si](C)(C)C(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H46OSSi2/c1-8-9-25-36-33(32-27(2)26-31(32)35-37(6,7)34(3,4)5)38(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30/h10-24,27,31H,8-9,25-26H2,1-7H3/b33-32+
InChIKeyCPESVVXLKAGLRQ-ULIFNZDWSA-N
MW558.98 g/mol
LogP7.91
Rot. Bonds10

About tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane

tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane (PubChem CID 134847832) has the molecular formula C34H46OSSi2 and a molecular weight of 558.98 g/mol. Its IUPAC name is tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane
PubChem CID134847832
Molecular FormulaC34H46OSSi2
Molecular Weight558.98 g/mol
Exact Mass558.28
IUPAC Nametert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane
SMILESCCCCS/C(=C1/C(C)CC1O[Si](C)(C)C(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H46OSSi2/c1-8-9-25-36-33(32-27(2)26-31(32)35-37(6,7)34(3,4)5)38(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30/h10-24,27,31H,8-9,25-26H2,1-7H3/b33-32+
InChIKeyCPESVVXLKAGLRQ-ULIFNZDWSA-N
XLogP7.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.98
LogP ≤ 57.91
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane
CID 132503824
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CID 89246042
(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one
CID 101212293
[(2S,3S,5R)-2-benzyl-1-methyl-5-nonylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 11362468
tert-butyl-[(1E,3R,4S,5Z)-5-hexylsulfanyl-4-methyl-1-phenylhepta-1,5-dien-3-yl]oxy-dimethylsilane
CID 102354642
tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
CID 58800360
(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylic acid
CID 175031512
tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
CID 69220700
[(2R,3R,3aR,5R,6aS)-3-butyl-6,6-difluoro-5-phenylmethoxy-2,3,3a,4,5,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 15724661
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one
CID 50915521
tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
CID 15630112

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane (CID 134847832) is tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane is CCCCS/C(=C1/C(C)CC1O[Si](C)(C)C(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane?
The InChIKey is CPESVVXLKAGLRQ-ULIFNZDWSA-N. The full InChI is InChI=1S/C34H46OSSi2/c1-8-9-25-36-33(32-27(2)26-31(32)35-37(6,7)34(3,4)5)38(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30/h10-24,27,31H,8-9,25-26H2,1-7H3/b33-32+.
What are the key properties of tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane?
tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane has a molecular weight of 558.98 g/mol, XLogP of 7.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane is sourced from PubChem (CID 134847832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).