[(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

C28H50Br2Si — CID 91868180

IUPAC[(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
SMILESCC(C)C1CC2C(C[C@H](C)[C@@H]2[Si](C)(C)[C@@H]2C3C[C@H](C(C)C)C[C@@H](Br)C3C[C@@H]2C)[C@H](Br)C1
InChIInChI=1S/C28H50Br2Si/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/h15-28H,9-14H2,1-8H3/t17-,18-,19-,20?,21?,22?,23?,24?,25+,26+,27-,28-/m0/s1
InChIKeyPIJZNBCNXPXNRN-BJZXLCRUSA-N
MW574.60 g/mol
LogP9.64
Rot. Bonds4

About [(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

[(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 (PubChem CID 91868180) has the molecular formula C28H50Br2Si and a molecular weight of 574.60 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID91868180
Molecular FormulaC28H50Br2Si
Molecular Weight574.60 g/mol
Exact Mass572.20
IUPAC Name[(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
SMILESCC(C)C1CC2C(C[C@H](C)[C@@H]2[Si](C)(C)[C@@H]2C3C[C@H](C(C)C)C[C@@H](Br)C3C[C@@H]2C)[C@H](Br)C1
InChIInChI=1S/C28H50Br2Si/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/h15-28H,9-14H2,1-8H3/t17-,18-,19-,20?,21?,22?,23?,24?,25+,26+,27-,28-/m0/s1
InChIKeyPIJZNBCNXPXNRN-BJZXLCRUSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 59.64
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 [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)C1CC2C(C[C@H](C)[C@@H]2[Si](C)(C)[C@@H]2C3C[C@H](C(C)C)C[C@@H](Br)C3C[C@@H]2C)[C@H](Br)C1.
What is the InChIKey of [(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?
The InChIKey is PIJZNBCNXPXNRN-BJZXLCRUSA-N. The full InChI is InChI=1S/C28H50Br2Si/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/h15-28H,9-14H2,1-8H3/t17-,18-,19-,20?,21?,22?,23?,24?,25+,26+,27-,28-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 574.60 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 91868180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).