(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

C21H36Br2Si — CID 59832556

IUPAC(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
SMILESCC1CC2C(Br)CCCC2C1[Si](C)(C)C1CCC2C(Br)CCCC21
InChIInChI=1S/C21H36Br2Si/c1-13-12-17-16(7-5-9-19(17)23)21(13)24(2,3)20-11-10-14-15(20)6-4-8-18(14)22/h13-21H,4-12H2,1-3H3
InChIKeyPPVHQXIAHHKYTI-UHFFFAOYSA-N
MW476.41 g/mol
LogP7.63
Rot. Bonds2

About (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

(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 (PubChem CID 59832556) has the molecular formula C21H36Br2Si and a molecular weight of 476.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID59832556
Molecular FormulaC21H36Br2Si
Molecular Weight476.41 g/mol
Exact Mass474.10
IUPAC Name(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
SMILESCC1CC2C(Br)CCCC2C1[Si](C)(C)C1CCC2C(Br)CCCC21
InChIInChI=1S/C21H36Br2Si/c1-13-12-17-16(7-5-9-19(17)23)21(13)24(2,3)20-11-10-14-15(20)6-4-8-18(14)22/h13-21H,4-12H2,1-3H3
InChIKeyPPVHQXIAHHKYTI-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.41
LogP ≤ 57.63
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 (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 with MolForge

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Related Compounds

(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 58675330
dimethyl-(2-methyl-4-quinolin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(4-quinolin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 162298218
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140886651
bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 58692100
[(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)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane
CID 153426843
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane
CID 171406225
bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 90950614
(4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 140737015
bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)
CID 162286301
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1CC2C(Br)CCCC2C1[Si](C)(C)C1CCC2C(Br)CCCC21.
What is the InChIKey of (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?
The InChIKey is PPVHQXIAHHKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36Br2Si/c1-13-12-17-16(7-5-9-19(17)23)21(13)24(2,3)20-11-10-14-15(20)6-4-8-18(14)22/h13-21H,4-12H2,1-3H3.
What are the key properties of (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?
(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 has a molecular weight of 476.41 g/mol, XLogP of 7.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 59832556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).