(2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane

C29H40Si — CID 10716833

IUPAC(2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane
SMILESCC(C)(C)C1=CC2=CC=C3C=C(C(C)(C)C)C=C4C=CC(=C1)C2(C)C34C[Si](C)(C)C
InChIInChI=1S/C29H40Si/c1-26(2,3)24-15-20-11-13-22-17-25(27(4,5)6)18-23-14-12-21(16-24)28(20,7)29(22,23)19-30(8,9)10/h11-18H,19H2,1-10H3
InChIKeyGWFDKCOOUHDRKU-UHFFFAOYSA-N
MW416.73 g/mol
LogP8.58
Rot. Bonds2

About (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane

(2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane (PubChem CID 10716833) has the molecular formula C29H40Si and a molecular weight of 416.73 g/mol. Its IUPAC name is (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane.

Molecular Properties

Compound Name(2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane
PubChem CID10716833
Molecular FormulaC29H40Si
Molecular Weight416.73 g/mol
Exact Mass416.29
IUPAC Name(2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane
SMILESCC(C)(C)C1=CC2=CC=C3C=C(C(C)(C)C)C=C4C=CC(=C1)C2(C)C34C[Si](C)(C)C
InChIInChI=1S/C29H40Si/c1-26(2,3)24-15-20-11-13-22-17-25(27(4,5)6)18-23-14-12-21(16-24)28(20,7)29(22,23)19-30(8,9)10/h11-18H,19H2,1-10H3
InChIKeyGWFDKCOOUHDRKU-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 58.58
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 (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane?
The IUPAC name of (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane (CID 10716833) is (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane.
What is the SMILES notation for (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane?
The canonical SMILES for (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane is CC(C)(C)C1=CC2=CC=C3C=C(C(C)(C)C)C=C4C=CC(=C1)C2(C)C34C[Si](C)(C)C.
What is the InChIKey of (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane?
The InChIKey is GWFDKCOOUHDRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40Si/c1-26(2,3)24-15-20-11-13-22-17-25(27(4,5)6)18-23-14-12-21(16-24)28(20,7)29(22,23)19-30(8,9)10/h11-18H,19H2,1-10H3.
What are the key properties of (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane?
(2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane has a molecular weight of 416.73 g/mol, XLogP of 8.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-10c-methylpyren-10b-yl)methyl-trimethylsilane is sourced from PubChem (CID 10716833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).