bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane

C34H48Si3 — CID 139672587

IUPACbis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane
SMILESCC(C)C1=CC([Si](C)(C)c2ccccc2)=CC1[Si](C)(C)C1C=C([Si](C)(C)c2ccccc2)C=C1C(C)C
InChIInChI=1S/C34H48Si3/c1-25(2)31-21-29(35(5,6)27-17-13-11-14-18-27)23-33(31)37(9,10)34-24-30(22-32(34)26(3)4)36(7,8)28-19-15-12-16-20-28/h11-26,33-34H,1-10H3
InChIKeyIZQBBVLPWJEYGX-UHFFFAOYSA-N
MW541.02 g/mol
LogP8.79
Rot. Bonds8

About bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane

bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane (PubChem CID 139672587) has the molecular formula C34H48Si3 and a molecular weight of 541.02 g/mol. Its IUPAC name is bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane
PubChem CID139672587
Molecular FormulaC34H48Si3
Molecular Weight541.02 g/mol
Exact Mass540.31
IUPAC Namebis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane
SMILESCC(C)C1=CC([Si](C)(C)c2ccccc2)=CC1[Si](C)(C)C1C=C([Si](C)(C)c2ccccc2)C=C1C(C)C
InChIInChI=1S/C34H48Si3/c1-25(2)31-21-29(35(5,6)27-17-13-11-14-18-27)23-33(31)37(9,10)34-24-30(22-32(34)26(3)4)36(7,8)28-19-15-12-16-20-28/h11-26,33-34H,1-10H3
InChIKeyIZQBBVLPWJEYGX-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.02
LogP ≤ 58.79
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[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane?
The IUPAC name of bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane (CID 139672587) is bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane is CC(C)C1=CC([Si](C)(C)c2ccccc2)=CC1[Si](C)(C)C1C=C([Si](C)(C)c2ccccc2)C=C1C(C)C.
What is the InChIKey of bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane?
The InChIKey is IZQBBVLPWJEYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48Si3/c1-25(2)31-21-29(35(5,6)27-17-13-11-14-18-27)23-33(31)37(9,10)34-24-30(22-32(34)26(3)4)36(7,8)28-19-15-12-16-20-28/h11-26,33-34H,1-10H3.
What are the key properties of bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane?
bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane has a molecular weight of 541.02 g/mol, XLogP of 8.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[dimethyl(phenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-dimethylsilane is sourced from PubChem (CID 139672587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).