[(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane

C28H34Br2Si — CID 90809327

IUPAC[(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane
SMILESCC1=Cc2c(Br)cc(C(C)C)cc2[C@@H]1[Si](C)(C)[C@H]1C(C)=Cc2c(Br)cc(C(C)C)cc21
InChIInChI=1S/C28H34Br2Si/c1-15(2)19-11-23-21(25(29)13-19)9-17(5)27(23)31(7,8)28-18(6)10-22-24(28)12-20(16(3)4)14-26(22)30/h9-16,27-28H,1-8H3/t27-,28+
InChIKeyTUQAMOLMNJWDKY-HNRBIFIRSA-N
MW558.47 g/mol
LogP9.95
Rot. Bonds4

About [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane

[(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane (PubChem CID 90809327) has the molecular formula C28H34Br2Si and a molecular weight of 558.47 g/mol. Its IUPAC name is [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Name[(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane
PubChem CID90809327
Molecular FormulaC28H34Br2Si
Molecular Weight558.47 g/mol
Exact Mass556.08
IUPAC Name[(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane
SMILESCC1=Cc2c(Br)cc(C(C)C)cc2[C@@H]1[Si](C)(C)[C@H]1C(C)=Cc2c(Br)cc(C(C)C)cc21
InChIInChI=1S/C28H34Br2Si/c1-15(2)19-11-23-21(25(29)13-19)9-17(5)27(23)31(7,8)28-18(6)10-22-24(28)12-20(16(3)4)14-26(22)30/h9-16,27-28H,1-8H3/t27-,28+
InChIKeyTUQAMOLMNJWDKY-HNRBIFIRSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.47
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane (CID 90809327) is [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane is CC1=Cc2c(Br)cc(C(C)C)cc2[C@@H]1[Si](C)(C)[C@H]1C(C)=Cc2c(Br)cc(C(C)C)cc21.
What is the InChIKey of [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The InChIKey is TUQAMOLMNJWDKY-HNRBIFIRSA-N. The full InChI is InChI=1S/C28H34Br2Si/c1-15(2)19-11-23-21(25(29)13-19)9-17(5)27(23)31(7,8)28-18(6)10-22-24(28)12-20(16(3)4)14-26(22)30/h9-16,27-28H,1-8H3/t27-,28+.
What are the key properties of [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
[(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane has a molecular weight of 558.47 g/mol, XLogP of 9.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 90809327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).