tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane

C42H56OSi — CID 140737174

About tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane

tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane (PubChem CID 140737174) has the molecular formula C42H56OSi and a molecular weight of 605.00 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane
• PubChem CID: 140737174
• Molecular Formula: C42H56OSi
• Molecular Weight: 605.00 g/mol
• Exact Mass: 604.41
• IUPAC Name: tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane
• SMILES: CC(C)=CCC/C(C)=C\C(C/C(C)=C\CC/C(C)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C42H56OSi/c1-34(2)20-18-22-36(4)32-39(38-24-12-9-13-25-38)33-37(5)23-19-21-35(3)30-31-43-44(42(6,7)8,40-26-14-10-15-27-40)41-28-16-11-17-29-41/h9-17,20,23-30,32,39H,18-19,21-22,31,33H2,1-8H3/b35-30-,36-32-,37-23-
• InChIKey: BGRKRISDVVLOFR-MUSOAXGKSA-N
• XLogP: 11.10
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.00
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane?

The IUPAC name of tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane (CID 140737174) is tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane.

What is the SMILES notation for tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane?

The canonical SMILES for tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane is CC(C)=CCC/C(C)=C\C(C/C(C)=C\CC/C(C)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.

What is the InChIKey of tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane?

The InChIKey is BGRKRISDVVLOFR-MUSOAXGKSA-N. The full InChI is InChI=1S/C42H56OSi/c1-34(2)20-18-22-36(4)32-39(38-24-12-9-13-25-38)33-37(5)23-19-21-35(3)30-31-43-44(42(6,7)8,40-26-14-10-15-27-40)41-28-16-11-17-29-41/h9-17,20,23-30,32,39H,18-19,21-22,31,33H2,1-8H3/b35-30-,36-32-,37-23-.

What are the key properties of tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane?

tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane has a molecular weight of 605.00 g/mol, XLogP of 11.10, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane is sourced from PubChem (CID 140737174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).