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

C24H42Br2Si — CID 58692107

IUPACbis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane
SMILESCC[Si](CC)(C1C(C)CC2C(Br)CCCC21)C1C(C)CC2C(Br)CCCC21
InChIInChI=1S/C24H42Br2Si/c1-5-27(6-2,23-15(3)13-19-17(23)9-7-11-21(19)25)24-16(4)14-20-18(24)10-8-12-22(20)26/h15-24H,5-14H2,1-4H3
InChIKeyUFVFLASWFLTQPR-UHFFFAOYSA-N
MW518.49 g/mol
LogP8.65
Rot. Bonds4

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

bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane (PubChem CID 58692107) has the molecular formula C24H42Br2Si and a molecular weight of 518.49 g/mol. Its IUPAC name is bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane.

Molecular Properties

Compound Namebis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane
PubChem CID58692107
Molecular FormulaC24H42Br2Si
Molecular Weight518.49 g/mol
Exact Mass516.14
IUPAC Namebis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane
SMILESCC[Si](CC)(C1C(C)CC2C(Br)CCCC21)C1C(C)CC2C(Br)CCCC21
InChIInChI=1S/C24H42Br2Si/c1-5-27(6-2,23-15(3)13-19-17(23)9-7-11-21(19)25)24-16(4)14-20-18(24)10-8-12-22(20)26/h15-24H,5-14H2,1-4H3
InChIKeyUFVFLASWFLTQPR-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.49
LogP ≤ 58.65
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)-diethylsilane?
The IUPAC name of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane (CID 58692107) is bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane.
What is the SMILES notation for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane?
The canonical SMILES for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane is CC[Si](CC)(C1C(C)CC2C(Br)CCCC21)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)-diethylsilane?
The InChIKey is UFVFLASWFLTQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42Br2Si/c1-5-27(6-2,23-15(3)13-19-17(23)9-7-11-21(19)25)24-16(4)14-20-18(24)10-8-12-22(20)26/h15-24H,5-14H2,1-4H3.
What are the key properties of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane?
bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane has a molecular weight of 518.49 g/mol, XLogP of 8.65, 4 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)-diethylsilane is sourced from PubChem (CID 58692107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).