tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane

C24H42OSi2 — CID 71518472

IUPACtert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane
SMILESCC1(C)CC(O[Si](C)(C)C(C)(C)C)=CC2=CCCC21CCC#C[Si](C)(C)C
InChIInChI=1S/C24H42OSi2/c1-22(2,3)27(9,10)25-21-18-20-14-13-16-24(20,23(4,5)19-21)15-11-12-17-26(6,7)8/h14,18H,11,13,15-16,19H2,1-10H3
InChIKeyWTDVPKUZUVIMOD-UHFFFAOYSA-N
MW402.77 g/mol
LogP7.69
Rot. Bonds4

About tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane

tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane (PubChem CID 71518472) has the molecular formula C24H42OSi2 and a molecular weight of 402.77 g/mol. Its IUPAC name is tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane
PubChem CID71518472
Molecular FormulaC24H42OSi2
Molecular Weight402.77 g/mol
Exact Mass402.28
IUPAC Nametert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane
SMILESCC1(C)CC(O[Si](C)(C)C(C)(C)C)=CC2=CCCC21CCC#C[Si](C)(C)C
InChIInChI=1S/C24H42OSi2/c1-22(2,3)27(9,10)25-21-18-20-14-13-16-24(20,23(4,5)19-21)15-11-12-17-26(6,7)8/h14,18H,11,13,15-16,19H2,1-10H3
InChIKeyWTDVPKUZUVIMOD-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane (CID 71518472) is tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane is CC1(C)CC(O[Si](C)(C)C(C)(C)C)=CC2=CCCC21CCC#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane?
The InChIKey is WTDVPKUZUVIMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42OSi2/c1-22(2,3)27(9,10)25-21-18-20-14-13-16-24(20,23(4,5)19-21)15-11-12-17-26(6,7)8/h14,18H,11,13,15-16,19H2,1-10H3.
What are the key properties of tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane?
tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane has a molecular weight of 402.77 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[7,7-dimethyl-7a-(4-trimethylsilylbut-3-ynyl)-2,6-dihydro-1H-inden-5-yl]oxy]-dimethylsilane is sourced from PubChem (CID 71518472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).