tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane

C14H28OSSi — CID 102246926

IUPACtert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane
SMILESCSC1=CCC(C)(C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSSi/c1-13(2,3)17(7,8)15-12-11(16-6)9-10-14(12,4)5/h9,12H,10H2,1-8H3
InChIKeyDTGKWYZLEMZIFO-UHFFFAOYSA-N
MW272.53 g/mol
LogP5.05
Rot. Bonds3

About tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane

tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane (PubChem CID 102246926) has the molecular formula C14H28OSSi and a molecular weight of 272.53 g/mol. Its IUPAC name is tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane
PubChem CID102246926
Molecular FormulaC14H28OSSi
Molecular Weight272.53 g/mol
Exact Mass272.16
IUPAC Nametert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane
SMILESCSC1=CCC(C)(C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSSi/c1-13(2,3)17(7,8)15-12-11(16-6)9-10-14(12,4)5/h9,12H,10H2,1-8H3
InChIKeyDTGKWYZLEMZIFO-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane 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

3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one
CID 69203284
tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane
CID 59889233
(4R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101079024
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
CID 12013189
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 99772598
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
(6E,10S)-6-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-11-oxabicyclo[8.2.1]trideca-1(13),6-dien-12-one
CID 177386404
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane (CID 102246926) is tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane is CSC1=CCC(C)(C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The InChIKey is DTGKWYZLEMZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSSi/c1-13(2,3)17(7,8)15-12-11(16-6)9-10-14(12,4)5/h9,12H,10H2,1-8H3.
What are the key properties of tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane?
tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane has a molecular weight of 272.53 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 102246926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).