bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane

C32H56O2Si3 — CID 18736444

About bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane

bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 18736444) has the molecular formula C32H56O2Si3 and a molecular weight of 557.06 g/mol. Its IUPAC name is bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

• Compound Name: bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
• PubChem CID: 18736444
• Molecular Formula: C32H56O2Si3
• Molecular Weight: 557.06 g/mol
• Exact Mass: 556.36
• IUPAC Name: bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC1CC2C=CC=CC2C1[Si](C)(C)C1C(O[Si](C)(C)C(C)(C)C)CC2C=CC=CC21
• InChI: InChI=1S/C32H56O2Si3/c1-31(2,3)36(9,10)33-27-21-23-17-13-15-19-25(23)29(27)35(7,8)30-26-20-16-14-18-24(26)22-28(30)34-37(11,12)32(4,5)6/h13-20,23-30H,21-22H2,1-12H3
• InChIKey: PXGIWDFOXIHDLG-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.06
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?

The IUPAC name of bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane (CID 18736444) is bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane.

What is the SMILES notation for bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?

The canonical SMILES for bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC2C=CC=CC2C1[Si](C)(C)C1C(O[Si](C)(C)C(C)(C)C)CC2C=CC=CC21.

What is the InChIKey of bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?

The InChIKey is PXGIWDFOXIHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O2Si3/c1-31(2,3)36(9,10)33-27-21-23-17-13-15-19-25(23)29(27)35(7,8)30-26-20-16-14-18-24(26)22-28(30)34-37(11,12)32(4,5)6/h13-20,23-30H,21-22H2,1-12H3.

What are the key properties of bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?

bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 557.06 g/mol, XLogP of 9.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 18736444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).