bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C28H48Si — CID 86034093

IUPACbis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C2C=C(C(C)(C)C)C=C2C(C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C28H48Si/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-18,23-24H,1-14H3
InChIKeyNDGWJONILSEQEH-UHFFFAOYSA-N
MW412.78 g/mol
LogP9.35
Rot. Bonds2

About bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane

bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 86034093) has the molecular formula C28H48Si and a molecular weight of 412.78 g/mol. Its IUPAC name is bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID86034093
Molecular FormulaC28H48Si
Molecular Weight412.78 g/mol
Exact Mass412.35
IUPAC Namebis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C2C=C(C(C)(C)C)C=C2C(C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C28H48Si/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-18,23-24H,1-14H3
InChIKeyNDGWJONILSEQEH-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 59.35
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(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 86034093) is bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC(C)(C)C1=CC([Si](C)(C)C2C=C(C(C)(C)C)C=C2C(C)(C)C)C(C(C)(C)C)=C1.
What is the InChIKey of bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is NDGWJONILSEQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48Si/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-18,23-24H,1-14H3.
What are the key properties of bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 412.78 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 86034093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).