bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane

C22H38Br2Si — CID 59832505

IUPACbis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C)CC2C(Br)CCCC21
InChIInChI=1S/C22H38Br2Si/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h13-22H,5-12H2,1-4H3
InChIKeyWWOIEZBFWOLCIS-UHFFFAOYSA-N
MW490.44 g/mol
LogP7.87
Rot. Bonds2

About bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane

bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 59832505) has the molecular formula C22H38Br2Si and a molecular weight of 490.44 g/mol. Its IUPAC name is bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID59832505
Molecular FormulaC22H38Br2Si
Molecular Weight490.44 g/mol
Exact Mass488.11
IUPAC Namebis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C)CC2C(Br)CCCC21
InChIInChI=1S/C22H38Br2Si/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h13-22H,5-12H2,1-4H3
InChIKeyWWOIEZBFWOLCIS-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.44
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (CID 59832505) is bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is CC1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C)CC2C(Br)CCCC21.
What is the InChIKey of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is WWOIEZBFWOLCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38Br2Si/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h13-22H,5-12H2,1-4H3.
What are the key properties of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 490.44 g/mol, XLogP of 7.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 59832505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).