[3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane

C34H50OSi — CID 162286238

About [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane

[3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane (PubChem CID 162286238) has the molecular formula C34H50OSi and a molecular weight of 502.86 g/mol. Its IUPAC name is [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane.

Molecular Properties

• Compound Name: [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
• PubChem CID: 162286238
• Molecular Formula: C34H50OSi
• Molecular Weight: 502.86 g/mol
• Exact Mass: 502.36
• IUPAC Name: [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
• SMILES: CC1CC2c3ccccc3C=CC2C1[Si](C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC(C)(C)C
• InChI: InChI=1S/C34H50OSi/c1-22-19-27-25-16-14-13-15-23(25)17-18-26(27)31(22)36(11,12)29-21-24(32(2,3)4)20-28(33(5,6)7)30(29)35-34(8,9)10/h13-18,20-22,26-27,31H,19H2,1-12H3
• InChIKey: LXEVRZUUVAXYFF-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.86
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane?

The IUPAC name of [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane (CID 162286238) is [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane.

What is the SMILES notation for [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane?

The canonical SMILES for [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane is CC1CC2c3ccccc3C=CC2C1[Si](C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC(C)(C)C.

What is the InChIKey of [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane?

The InChIKey is LXEVRZUUVAXYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50OSi/c1-22-19-27-25-16-14-13-15-23(25)17-18-26(27)31(22)36(11,12)29-21-24(32(2,3)4)20-28(33(5,6)7)30(29)35-34(8,9)10/h13-18,20-22,26-27,31H,19H2,1-12H3.

What are the key properties of [3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane?

[3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane has a molecular weight of 502.86 g/mol, XLogP of 9.21, 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-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane is sourced from PubChem (CID 162286238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).