(3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane

C26H36OSi — CID 18347443

IUPAC(3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=Cc2ccccc2C1
InChIInChI=1S/C26H36OSi/c1-25(2,3)20-16-22(26(4,5)6)24(27-7)23(17-20)28(8,9)21-14-18-12-10-11-13-19(18)15-21/h10-14,16-17H,15H2,1-9H3
InChIKeyYCZWASFCQUSDJD-UHFFFAOYSA-N
MW392.66 g/mol
LogP6.38
Rot. Bonds3

About (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane

(3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane (PubChem CID 18347443) has the molecular formula C26H36OSi and a molecular weight of 392.66 g/mol. Its IUPAC name is (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane.

Molecular Properties

Compound Name(3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane
PubChem CID18347443
Molecular FormulaC26H36OSi
Molecular Weight392.66 g/mol
Exact Mass392.25
IUPAC Name(3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=Cc2ccccc2C1
InChIInChI=1S/C26H36OSi/c1-25(2,3)20-16-22(26(4,5)6)24(27-7)23(17-20)28(8,9)21-14-18-12-10-11-13-19(18)15-21/h10-14,16-17H,15H2,1-9H3
InChIKeyYCZWASFCQUSDJD-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-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 (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane?
The IUPAC name of (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane (CID 18347443) is (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane.
What is the SMILES notation for (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane?
The canonical SMILES for (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane is COc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1=Cc2ccccc2C1.
What is the InChIKey of (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane?
The InChIKey is YCZWASFCQUSDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36OSi/c1-25(2,3)20-16-22(26(4,5)6)24(27-7)23(17-20)28(8,9)21-14-18-12-10-11-13-19(18)15-21/h10-14,16-17H,15H2,1-9H3.
What are the key properties of (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane?
(3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane has a molecular weight of 392.66 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-2-methoxyphenyl)-(1H-inden-2-yl)-dimethylsilane is sourced from PubChem (CID 18347443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).