bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C14H18Cl2Si — CID 141235168

IUPACbis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1=CC(Cl)([Si](C)(C)C2(Cl)C=CC(C)=C2)C=C1
InChIInChI=1S/C14H18Cl2Si/c1-11-5-7-13(15,9-11)17(3,4)14(16)8-6-12(2)10-14/h5-10H,1-4H3
InChIKeySGTVQLBTOGBROA-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.76
Rot. Bonds2

About bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane

bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 141235168) has the molecular formula C14H18Cl2Si and a molecular weight of 285.29 g/mol. Its IUPAC name is bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID141235168
Molecular FormulaC14H18Cl2Si
Molecular Weight285.29 g/mol
Exact Mass284.06
IUPAC Namebis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1=CC(Cl)([Si](C)(C)C2(Cl)C=CC(C)=C2)C=C1
InChIInChI=1S/C14H18Cl2Si/c1-11-5-7-13(15,9-11)17(3,4)14(16)8-6-12(2)10-14/h5-10H,1-4H3
InChIKeySGTVQLBTOGBROA-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-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 bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 141235168) is bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC1=CC(Cl)([Si](C)(C)C2(Cl)C=CC(C)=C2)C=C1.
What is the InChIKey of bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is SGTVQLBTOGBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2Si/c1-11-5-7-13(15,9-11)17(3,4)14(16)8-6-12(2)10-14/h5-10H,1-4H3.
What are the key properties of bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 285.29 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-3-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 141235168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).