tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane

C16H28OSSi — CID 59889233

IUPACtert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane
SMILESCC1(C)CCc2sccc2C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSSi/c1-15(2,3)19(6,7)17-14-12-9-11-18-13(12)8-10-16(14,4)5/h9,11,14H,8,10H2,1-7H3
InChIKeyKKDLCPINJXFUBJ-UHFFFAOYSA-N
MW296.55 g/mol
LogP5.78
Rot. Bonds2

About tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane

tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane (PubChem CID 59889233) has the molecular formula C16H28OSSi and a molecular weight of 296.55 g/mol. Its IUPAC name is tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane
PubChem CID59889233
Molecular FormulaC16H28OSSi
Molecular Weight296.55 g/mol
Exact Mass296.16
IUPAC Nametert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane
SMILESCC1(C)CCc2sccc2C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSSi/c1-15(2,3)19(6,7)17-14-12-9-11-18-13(12)8-10-16(14,4)5/h9,11,14H,8,10H2,1-7H3
InChIKeyKKDLCPINJXFUBJ-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.55
LogP ≤ 55.78
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

4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene
CID 176611134
4-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 23542138
3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one
CID 69203284
(4R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101079024
4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol
CID 14140296
[(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane
CID 24755647
(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
CID 12013189
4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
CID 176926906
4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165478171
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
CID 170702889
5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103018511
N-(4,4-dimethylthian-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 79948113

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane (CID 59889233) is tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane is CC1(C)CCc2sccc2C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane?
The InChIKey is KKDLCPINJXFUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSSi/c1-15(2,3)19(6,7)17-14-12-9-11-18-13(12)8-10-16(14,4)5/h9,11,14H,8,10H2,1-7H3.
What are the key properties of tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane?
tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane has a molecular weight of 296.55 g/mol, XLogP of 5.78, 2 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-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane is sourced from PubChem (CID 59889233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).