tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane

C35H46O2Si — CID 71545715

About tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane

tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane (PubChem CID 71545715) has the molecular formula C35H46O2Si and a molecular weight of 526.84 g/mol. Its IUPAC name is tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
• PubChem CID: 71545715
• Molecular Formula: C35H46O2Si
• Molecular Weight: 526.84 g/mol
• Exact Mass: 526.33
• IUPAC Name: tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
• SMILES: CC(C)(C)[C@H]1C/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CCc2ccccc2)O1
• InChI: InChI=1S/C35H46O2Si/c1-34(2,3)33-27-29(26-30(37-33)23-22-28-16-10-7-11-17-28)24-25-36-38(35(4,5)6,31-18-12-8-13-19-31)32-20-14-9-15-21-32/h7-21,24,30,33H,22-23,25-27H2,1-6H3/b29-24+/t30-,33-/m1/s1
• InChIKey: WPJDRIDGQSTPNB-CAWYTLOUSA-N
• XLogP: 7.72
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.84
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane (CID 71545715) is tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane is CC(C)(C)[C@H]1C/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CCc2ccccc2)O1.

What is the InChIKey of tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane?

The InChIKey is WPJDRIDGQSTPNB-CAWYTLOUSA-N. The full InChI is InChI=1S/C35H46O2Si/c1-34(2,3)33-27-29(26-30(37-33)23-22-28-16-10-7-11-17-28)24-25-36-38(35(4,5)6,31-18-12-8-13-19-31)32-20-14-9-15-21-32/h7-21,24,30,33H,22-23,25-27H2,1-6H3/b29-24+/t30-,33-/m1/s1.

What are the key properties of tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane?

tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane has a molecular weight of 526.84 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane is sourced from PubChem (CID 71545715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).