1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane

C28H40OSi — CID 18347361

IUPAC1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane
SMILESCCCCCc1cc(CCCCC)c(OC)c([Si](C)(C)C2C=Cc3ccccc32)c1
InChIInChI=1S/C28H40OSi/c1-6-8-10-14-22-20-24(16-11-9-7-2)28(29-3)27(21-22)30(4,5)26-19-18-23-15-12-13-17-25(23)26/h12-13,15,17-21,26H,6-11,14,16H2,1-5H3
InChIKeyNFFSIFPENPILKR-UHFFFAOYSA-N
MW420.71 g/mol
LogP7.43
Rot. Bonds11

About 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane

1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane (PubChem CID 18347361) has the molecular formula C28H40OSi and a molecular weight of 420.71 g/mol. Its IUPAC name is 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane.

Molecular Properties

Compound Name1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane
PubChem CID18347361
Molecular FormulaC28H40OSi
Molecular Weight420.71 g/mol
Exact Mass420.28
IUPAC Name1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane
SMILESCCCCCc1cc(CCCCC)c(OC)c([Si](C)(C)C2C=Cc3ccccc32)c1
InChIInChI=1S/C28H40OSi/c1-6-8-10-14-22-20-24(16-11-9-7-2)28(29-3)27(21-22)30(4,5)26-19-18-23-15-12-13-17-25(23)26/h12-13,15,17-21,26H,6-11,14,16H2,1-5H3
InChIKeyNFFSIFPENPILKR-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.71
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-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 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane?
The IUPAC name of 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane (CID 18347361) is 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane.
What is the SMILES notation for 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane?
The canonical SMILES for 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane is CCCCCc1cc(CCCCC)c(OC)c([Si](C)(C)C2C=Cc3ccccc32)c1.
What is the InChIKey of 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane?
The InChIKey is NFFSIFPENPILKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40OSi/c1-6-8-10-14-22-20-24(16-11-9-7-2)28(29-3)27(21-22)30(4,5)26-19-18-23-15-12-13-17-25(23)26/h12-13,15,17-21,26H,6-11,14,16H2,1-5H3.
What are the key properties of 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane?
1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane has a molecular weight of 420.71 g/mol, XLogP of 7.43, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl-(2-methoxy-3,5-dipentylphenyl)-dimethylsilane is sourced from PubChem (CID 18347361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).