bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C28H32Si — CID 10894569

IUPACbis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1=CC(c2ccccc2)=C(C)C1[Si](C)(C)C1C(C)=CC(c2ccccc2)=C1C
InChIInChI=1S/C28H32Si/c1-19-17-25(23-13-9-7-10-14-23)21(3)27(19)29(5,6)28-20(2)18-26(22(28)4)24-15-11-8-12-16-24/h7-18,27-28H,1-6H3
InChIKeyVCORBQZGGXNSBA-UHFFFAOYSA-N
MW396.65 g/mol
LogP8.30
Rot. Bonds4

About bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane

bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 10894569) has the molecular formula C28H32Si and a molecular weight of 396.65 g/mol. Its IUPAC name is bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID10894569
Molecular FormulaC28H32Si
Molecular Weight396.65 g/mol
Exact Mass396.23
IUPAC Namebis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1=CC(c2ccccc2)=C(C)C1[Si](C)(C)C1C(C)=CC(c2ccccc2)=C1C
InChIInChI=1S/C28H32Si/c1-19-17-25(23-13-9-7-10-14-23)21(3)27(19)29(5,6)28-20(2)18-26(22(28)4)24-15-11-8-12-16-24/h7-18,27-28H,1-6H3
InChIKeyVCORBQZGGXNSBA-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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triphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
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dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)silane
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trimethyl-[(1S)-2-methyl-1H-inden-1-yl]silane
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[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-phenylazanide
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dimethyl-[(1R)-2-methyl-4,5,6,7-tetrahydro-1H-inden-1-yl]-[(1S)-2-methyl-4,5,6,7-tetrahydro-1H-inden-1-yl]silane
CID 101044332

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 10894569) is bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC1=CC(c2ccccc2)=C(C)C1[Si](C)(C)C1C(C)=CC(c2ccccc2)=C1C.
What is the InChIKey of bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is VCORBQZGGXNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Si/c1-19-17-25(23-13-9-7-10-14-23)21(3)27(19)29(5,6)28-20(2)18-26(22(28)4)24-15-11-8-12-16-24/h7-18,27-28H,1-6H3.
What are the key properties of bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 396.65 g/mol, XLogP of 8.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethyl-3-phenylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 10894569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).