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

C21H26Si — CID 57021915

IUPAC[2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane
SMILESCCCCC1=C(C2=Cc3cccc(=[Si](C)C)c3=C2C)CC=C1
InChIInChI=1S/C21H26Si/c1-5-6-9-16-10-7-12-18(16)19-14-17-11-8-13-20(22(3)4)21(17)15(19)2/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3
InChIKeyMCYKBWGRWCKOHG-UHFFFAOYSA-N
MW306.53 g/mol
LogP5.29
Rot. Bonds4

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

[2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane (PubChem CID 57021915) has the molecular formula C21H26Si and a molecular weight of 306.53 g/mol. Its IUPAC name is [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane.

Molecular Properties

Compound Name[2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane
PubChem CID57021915
Molecular FormulaC21H26Si
Molecular Weight306.53 g/mol
Exact Mass306.18
IUPAC Name[2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane
SMILESCCCCC1=C(C2=Cc3cccc(=[Si](C)C)c3=C2C)CC=C1
InChIInChI=1S/C21H26Si/c1-5-6-9-16-10-7-12-18(16)19-14-17-11-8-13-20(22(3)4)21(17)15(19)2/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3
InChIKeyMCYKBWGRWCKOHG-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane?
The IUPAC name of [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane (CID 57021915) is [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane.
What is the SMILES notation for [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane?
The canonical SMILES for [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane is CCCCC1=C(C2=Cc3cccc(=[Si](C)C)c3=C2C)CC=C1.
What is the InChIKey of [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane?
The InChIKey is MCYKBWGRWCKOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Si/c1-5-6-9-16-10-7-12-18(16)19-14-17-11-8-13-20(22(3)4)21(17)15(19)2/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3.
What are the key properties of [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane?
[2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane has a molecular weight of 306.53 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane is sourced from PubChem (CID 57021915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).