bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C24H40Si — CID 139667902

IUPACbis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1=C(C)C([Si](C)(C)C2C(C(C)(C)C)=CC(C)=C2C)C(C(C)(C)C)=C1
InChIInChI=1S/C24H40Si/c1-15-13-19(23(5,6)7)21(17(15)3)25(11,12)22-18(4)16(2)14-20(22)24(8,9)10/h13-14,21-22H,1-12H3
InChIKeyDSQILFOWHQWZAL-UHFFFAOYSA-N
MW356.67 g/mol
LogP8.08
Rot. Bonds2

About bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane

bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 139667902) has the molecular formula C24H40Si and a molecular weight of 356.67 g/mol. Its IUPAC name is bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID139667902
Molecular FormulaC24H40Si
Molecular Weight356.67 g/mol
Exact Mass356.29
IUPAC Namebis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1=C(C)C([Si](C)(C)C2C(C(C)(C)C)=CC(C)=C2C)C(C(C)(C)C)=C1
InChIInChI=1S/C24H40Si/c1-15-13-19(23(5,6)7)21(17(15)3)25(11,12)22-18(4)16(2)14-20(22)24(8,9)10/h13-14,21-22H,1-12H3
InChIKeyDSQILFOWHQWZAL-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 58.08
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 bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 139667902) is bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC1=C(C)C([Si](C)(C)C2C(C(C)(C)C)=CC(C)=C2C)C(C(C)(C)C)=C1.
What is the InChIKey of bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is DSQILFOWHQWZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40Si/c1-15-13-19(23(5,6)7)21(17(15)3)25(11,12)22-18(4)16(2)14-20(22)24(8,9)10/h13-14,21-22H,1-12H3.
What are the key properties of bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 356.67 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 139667902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).