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

C26H46Br2Si — CID 58692118

IUPACbis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC(C)C1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C(C)C)CC2C(Br)CCCC21
InChIInChI=1S/C26H46Br2Si/c1-15(2)19-13-21-17(9-7-11-23(21)27)25(19)29(5,6)26-18-10-8-12-24(28)22(18)14-20(26)16(3)4/h15-26H,7-14H2,1-6H3
InChIKeyOTHFHOIZULRIOX-UHFFFAOYSA-N
MW546.55 g/mol
LogP9.15
Rot. Bonds4

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

bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 58692118) has the molecular formula C26H46Br2Si and a molecular weight of 546.55 g/mol. Its IUPAC name is bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID58692118
Molecular FormulaC26H46Br2Si
Molecular Weight546.55 g/mol
Exact Mass544.17
IUPAC Namebis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC(C)C1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C(C)C)CC2C(Br)CCCC21
InChIInChI=1S/C26H46Br2Si/c1-15(2)19-13-21-17(9-7-11-23(21)27)25(19)29(5,6)26-18-10-8-12-24(28)22(18)14-20(26)16(3)4/h15-26H,7-14H2,1-6H3
InChIKeyOTHFHOIZULRIOX-UHFFFAOYSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.55
LogP ≤ 59.15
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-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (CID 58692118) is bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is CC(C)C1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C(C)C)CC2C(Br)CCCC21.
What is the InChIKey of bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is OTHFHOIZULRIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46Br2Si/c1-15(2)19-13-21-17(9-7-11-23(21)27)25(19)29(5,6)26-18-10-8-12-24(28)22(18)14-20(26)16(3)4/h15-26H,7-14H2,1-6H3.
What are the key properties of bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 546.55 g/mol, XLogP of 9.15, 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-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 58692118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).