[3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane

C17H24Si — CID 22927281

IUPAC[3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane
SMILESCC1=CC(=[Si](C)C)C=C1C1=CC(C(C)(C)C)=CC1
InChIInChI=1S/C17H24Si/c1-12-9-15(18(5)6)11-16(12)13-7-8-14(10-13)17(2,3)4/h8-11H,7H2,1-6H3
InChIKeyLEANCXSBLFNYFT-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.68
Rot. Bonds1

About [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane

[3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane (PubChem CID 22927281) has the molecular formula C17H24Si and a molecular weight of 256.46 g/mol. Its IUPAC name is [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane.

Molecular Properties

Compound Name[3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane
PubChem CID22927281
Molecular FormulaC17H24Si
Molecular Weight256.46 g/mol
Exact Mass256.16
IUPAC Name[3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane
SMILESCC1=CC(=[Si](C)C)C=C1C1=CC(C(C)(C)C)=CC1
InChIInChI=1S/C17H24Si/c1-12-9-15(18(5)6)11-16(12)13-7-8-14(10-13)17(2,3)4/h8-11H,7H2,1-6H3
InChIKeyLEANCXSBLFNYFT-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.68
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 [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane?
The IUPAC name of [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane (CID 22927281) is [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane.
What is the SMILES notation for [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane?
The canonical SMILES for [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane is CC1=CC(=[Si](C)C)C=C1C1=CC(C(C)(C)C)=CC1.
What is the InChIKey of [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane?
The InChIKey is LEANCXSBLFNYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Si/c1-12-9-15(18(5)6)11-16(12)13-7-8-14(10-13)17(2,3)4/h8-11H,7H2,1-6H3.
What are the key properties of [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane?
[3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane is sourced from PubChem (CID 22927281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).