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

C24H42Br2Si — CID 58692100

IUPACbis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1CC(Br)C2CC(C)C([Si](C)(C)C3C(C)CC4C(Br)CC(C)CC43)C2C1
InChIInChI=1S/C24H42Br2Si/c1-13-7-19-17(21(25)9-13)11-15(3)23(19)27(5,6)24-16(4)12-18-20(24)8-14(2)10-22(18)26/h13-24H,7-12H2,1-6H3
InChIKeyCJNBLNNSGGRALQ-UHFFFAOYSA-N
MW518.49 g/mol
LogP8.37
Rot. Bonds2

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

bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 58692100) has the molecular formula C24H42Br2Si and a molecular weight of 518.49 g/mol. Its IUPAC name is bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID58692100
Molecular FormulaC24H42Br2Si
Molecular Weight518.49 g/mol
Exact Mass516.14
IUPAC Namebis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1CC(Br)C2CC(C)C([Si](C)(C)C3C(C)CC4C(Br)CC(C)CC43)C2C1
InChIInChI=1S/C24H42Br2Si/c1-13-7-19-17(21(25)9-13)11-15(3)23(19)27(5,6)24-16(4)12-18-20(24)8-14(2)10-22(18)26/h13-24H,7-12H2,1-6H3
InChIKeyCJNBLNNSGGRALQ-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.49
LogP ≤ 58.37
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'}

Analyze bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane with MolForge

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Related Compounds

[(1S,2S,4R)-4-bromo-2-methyl-6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(1S,2S,4R,6S)-4-bromo-2-methyl-6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 91868180
(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 59832556
bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 153487351
(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 58675330
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
carbanide;dichlorozirconium(2+);[2,5-dimethyl-3-(2-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethyl-(2,4,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 162285497
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102
1-bromo-3-methylcyclobutane
CID 14372773
(3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane
CID 140886609
(5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane
CID 91027915
bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 162294698
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991

Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (CID 58692100) is bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is CC1CC(Br)C2CC(C)C([Si](C)(C)C3C(C)CC4C(Br)CC(C)CC43)C2C1.
What is the InChIKey of bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is CJNBLNNSGGRALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42Br2Si/c1-13-7-19-17(21(25)9-13)11-15(3)23(19)27(5,6)24-16(4)12-18-20(24)8-14(2)10-22(18)26/h13-24H,7-12H2,1-6H3.
What are the key properties of bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 518.49 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 58692100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).