bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C32H64O2Si3 — CID 90735672

IUPACbis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2CCCCC2C1[Si](C)(C)C1C(O[Si](C)(C)C(C)(C)C)CC2CCCCC21
InChIInChI=1S/C32H64O2Si3/c1-31(2,3)36(9,10)33-27-21-23-17-13-15-19-25(23)29(27)35(7,8)30-26-20-16-14-18-24(26)22-28(30)34-37(11,12)32(4,5)6/h23-30H,13-22H2,1-12H3
InChIKeyNLRUDXULZKBRGB-UHFFFAOYSA-N
MW565.12 g/mol
LogP10.64
Rot. Bonds6

About bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 90735672) has the molecular formula C32H64O2Si3 and a molecular weight of 565.12 g/mol. Its IUPAC name is bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID90735672
Molecular FormulaC32H64O2Si3
Molecular Weight565.12 g/mol
Exact Mass564.42
IUPAC Namebis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2CCCCC2C1[Si](C)(C)C1C(O[Si](C)(C)C(C)(C)C)CC2CCCCC21
InChIInChI=1S/C32H64O2Si3/c1-31(2,3)36(9,10)33-27-21-23-17-13-15-19-25(23)29(27)35(7,8)30-26-20-16-14-18-24(26)22-28(30)34-37(11,12)32(4,5)6/h23-30H,13-22H2,1-12H3
InChIKeyNLRUDXULZKBRGB-UHFFFAOYSA-N
XLogP10.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.12
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 90735672) is bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC2CCCCC2C1[Si](C)(C)C1C(O[Si](C)(C)C(C)(C)C)CC2CCCCC21.
What is the InChIKey of bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is NLRUDXULZKBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2Si3/c1-31(2,3)36(9,10)33-27-21-23-17-13-15-19-25(23)29(27)35(7,8)30-26-20-16-14-18-24(26)22-28(30)34-37(11,12)32(4,5)6/h23-30H,13-22H2,1-12H3.
What are the key properties of bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 565.12 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 90735672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).