[3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane

C21H26Si — CID 87603812

IUPAC[3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane
SMILESCC1=CCC(C2=C3C(=CC=CC(=[Si](C)C)C3C)C=C2C)=C1C
InChIInChI=1S/C21H26Si/c1-13-10-11-18(15(13)3)20-14(2)12-17-8-7-9-19(22(5)6)16(4)21(17)20/h7-10,12,16H,11H2,1-6H3
InChIKeyOQLCJFPRMAWVIP-UHFFFAOYSA-N
MW306.53 g/mol
LogP5.55
Rot. Bonds1

About [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane

[3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane (PubChem CID 87603812) has the molecular formula C21H26Si and a molecular weight of 306.53 g/mol. Its IUPAC name is [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane.

Molecular Properties

Compound Name[3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane
PubChem CID87603812
Molecular FormulaC21H26Si
Molecular Weight306.53 g/mol
Exact Mass306.18
IUPAC Name[3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane
SMILESCC1=CCC(C2=C3C(=CC=CC(=[Si](C)C)C3C)C=C2C)=C1C
InChIInChI=1S/C21H26Si/c1-13-10-11-18(15(13)3)20-14(2)12-17-8-7-9-19(22(5)6)16(4)21(17)20/h7-10,12,16H,11H2,1-6H3
InChIKeyOQLCJFPRMAWVIP-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-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 [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane?
The IUPAC name of [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane (CID 87603812) is [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane.
What is the SMILES notation for [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane?
The canonical SMILES for [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane is CC1=CCC(C2=C3C(=CC=CC(=[Si](C)C)C3C)C=C2C)=C1C.
What is the InChIKey of [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane?
The InChIKey is OQLCJFPRMAWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Si/c1-13-10-11-18(15(13)3)20-14(2)12-17-8-7-9-19(22(5)6)16(4)21(17)20/h7-10,12,16H,11H2,1-6H3.
What are the key properties of [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane?
[3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane has a molecular weight of 306.53 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,4-dimethyl-4H-azulen-5-ylidene]-dimethylsilane is sourced from PubChem (CID 87603812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).