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

C20H24OSi — CID 18347473

IUPAC1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane
SMILESCOc1c(C)cc(C)cc1[Si](C)(C)C1C=Cc2ccccc21
InChIInChI=1S/C20H24OSi/c1-14-12-15(2)20(21-3)19(13-14)22(4,5)18-11-10-16-8-6-7-9-17(16)18/h6-13,18H,1-5H3
InChIKeyCBVRXTHVXAFTDG-UHFFFAOYSA-N
MW308.50 g/mol
LogP4.58
Rot. Bonds3

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

1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane (PubChem CID 18347473) has the molecular formula C20H24OSi and a molecular weight of 308.50 g/mol. Its IUPAC name is 1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane.

Molecular Properties

Compound Name1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane
PubChem CID18347473
Molecular FormulaC20H24OSi
Molecular Weight308.50 g/mol
Exact Mass308.16
IUPAC Name1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane
SMILESCOc1c(C)cc(C)cc1[Si](C)(C)C1C=Cc2ccccc21
InChIInChI=1S/C20H24OSi/c1-14-12-15(2)20(21-3)19(13-14)22(4,5)18-11-10-16-8-6-7-9-17(16)18/h6-13,18H,1-5H3
InChIKeyCBVRXTHVXAFTDG-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane?
The IUPAC name of 1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane (CID 18347473) is 1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane.
What is the SMILES notation for 1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane?
The canonical SMILES for 1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane is COc1c(C)cc(C)cc1[Si](C)(C)C1C=Cc2ccccc21.
What is the InChIKey of 1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane?
The InChIKey is CBVRXTHVXAFTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24OSi/c1-14-12-15(2)20(21-3)19(13-14)22(4,5)18-11-10-16-8-6-7-9-17(16)18/h6-13,18H,1-5H3.
What are the key properties of 1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane?
1H-inden-1-yl-(2-methoxy-3,5-dimethylphenyl)-dimethylsilane has a molecular weight of 308.50 g/mol, XLogP of 4.58, 3 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-dimethylphenyl)-dimethylsilane is sourced from PubChem (CID 18347473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).