[(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane

C29H40Si — CID 11026123

IUPAC[(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane
SMILESCC(C)(C)C1=CC2=CC([Si](C)(C)C)=C3C=C(C(C)(C)C)C=C4C=CC(=C1)[C@@]2(C)[C@]43C
InChIInChI=1S/C29H40Si/c1-26(2,3)21-14-19-12-13-20-15-22(27(4,5)6)17-24-25(30(9,10)11)18-23(16-21)28(19,7)29(20,24)8/h12-18H,1-11H3/t28-,29-/m1/s1
InChIKeyABSOIZOUOUSSCV-FQLXRVMXSA-N
MW416.73 g/mol
LogP8.51
Rot. Bonds1

About [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane

[(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane (PubChem CID 11026123) has the molecular formula C29H40Si and a molecular weight of 416.73 g/mol. Its IUPAC name is [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane
PubChem CID11026123
Molecular FormulaC29H40Si
Molecular Weight416.73 g/mol
Exact Mass416.29
IUPAC Name[(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane
SMILESCC(C)(C)C1=CC2=CC([Si](C)(C)C)=C3C=C(C(C)(C)C)C=C4C=CC(=C1)[C@@]2(C)[C@]43C
InChIInChI=1S/C29H40Si/c1-26(2,3)21-14-19-12-13-20-15-22(27(4,5)6)17-24-25(30(9,10)11)18-23(16-21)28(19,7)29(20,24)8/h12-18H,1-11H3/t28-,29-/m1/s1
InChIKeyABSOIZOUOUSSCV-FQLXRVMXSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane?
The IUPAC name of [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane (CID 11026123) is [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane.
What is the SMILES notation for [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane?
The canonical SMILES for [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane is CC(C)(C)C1=CC2=CC([Si](C)(C)C)=C3C=C(C(C)(C)C)C=C4C=CC(=C1)[C@@]2(C)[C@]43C.
What is the InChIKey of [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane?
The InChIKey is ABSOIZOUOUSSCV-FQLXRVMXSA-N. The full InChI is InChI=1S/C29H40Si/c1-26(2,3)21-14-19-12-13-20-15-22(27(4,5)6)17-24-25(30(9,10)11)18-23(16-21)28(19,7)29(20,24)8/h12-18H,1-11H3/t28-,29-/m1/s1.
What are the key properties of [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane?
[(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane has a molecular weight of 416.73 g/mol, XLogP of 8.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]-trimethylsilane is sourced from PubChem (CID 11026123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).