chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane

C28H39ClSi — CID 140664464

About chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane

chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane (PubChem CID 140664464) has the molecular formula C28H39ClSi and a molecular weight of 439.16 g/mol. Its IUPAC name is chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

• Compound Name: chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
• PubChem CID: 140664464
• Molecular Formula: C28H39ClSi
• Molecular Weight: 439.16 g/mol
• Exact Mass: 438.25
• IUPAC Name: chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
• SMILES: CC(C)C1=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2C1[Si](C)(C)Cl
• InChI: InChI=1S/C28H39ClSi/c1-18(2)24-17-25-22(12-11-13-23(25)26(24)30(9,10)29)19-14-20(27(3,4)5)16-21(15-19)28(6,7)8/h11-18,26H,1-10H3
• InChIKey: OHODEYZWMMORAE-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.16
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?

The IUPAC name of chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane (CID 140664464) is chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane.

What is the SMILES notation for chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?

The canonical SMILES for chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane is CC(C)C1=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2C1[Si](C)(C)Cl.

What is the InChIKey of chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?

The InChIKey is OHODEYZWMMORAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39ClSi/c1-18(2)24-17-25-22(12-11-13-23(25)26(24)30(9,10)29)19-14-20(27(3,4)5)16-21(15-19)28(6,7)8/h11-18,26H,1-10H3.

What are the key properties of chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?

chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane has a molecular weight of 439.16 g/mol, XLogP of 9.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 140664464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).