[4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane

C21H26Si — CID 173036893

IUPAC[4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane
SMILESC[Si](C)=C1C2CC3CC(C2)C(c2cccc4c2C=CC4)C1C3
InChIInChI=1S/C21H26Si/c1-22(2)21-16-10-13-9-15(12-16)20(19(21)11-13)18-8-4-6-14-5-3-7-17(14)18/h3-4,6-8,13,15-16,19-20H,5,9-12H2,1-2H3
InChIKeyYRWNCDZVJOWFBU-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.91
Rot. Bonds1

About [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane

[4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane (PubChem CID 173036893) has the molecular formula C21H26Si and a molecular weight of 306.52 g/mol. Its IUPAC name is [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane.

Molecular Properties

Compound Name[4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane
PubChem CID173036893
Molecular FormulaC21H26Si
Molecular Weight306.52 g/mol
Exact Mass306.18
IUPAC Name[4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane
SMILESC[Si](C)=C1C2CC3CC(C2)C(c2cccc4c2C=CC4)C1C3
InChIInChI=1S/C21H26Si/c1-22(2)21-16-10-13-9-15(12-16)20(19(21)11-13)18-8-4-6-14-5-3-7-17(14)18/h3-4,6-8,13,15-16,19-20H,5,9-12H2,1-2H3
InChIKeyYRWNCDZVJOWFBU-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.91
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 [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane?
The IUPAC name of [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane (CID 173036893) is [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane.
What is the SMILES notation for [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane?
The canonical SMILES for [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane is C[Si](C)=C1C2CC3CC(C2)C(c2cccc4c2C=CC4)C1C3.
What is the InChIKey of [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane?
The InChIKey is YRWNCDZVJOWFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Si/c1-22(2)21-16-10-13-9-15(12-16)20(19(21)11-13)18-8-4-6-14-5-3-7-17(14)18/h3-4,6-8,13,15-16,19-20H,5,9-12H2,1-2H3.
What are the key properties of [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane?
[4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane has a molecular weight of 306.52 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane is sourced from PubChem (CID 173036893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).