tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane

C45H72O2SSi — CID 10908678

About tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane

tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane (PubChem CID 10908678) has the molecular formula C45H72O2SSi and a molecular weight of 705.22 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane
• PubChem CID: 10908678
• Molecular Formula: C45H72O2SSi
• Molecular Weight: 705.22 g/mol
• Exact Mass: 704.50
• IUPAC Name: tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane
• SMILES: C=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CC/C(=C/CC(Sc2ccccc2)/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1
• InChI: InChI=1S/C45H72O2SSi/c1-34(2)20-18-22-39(10)24-19-23-38(9)21-16-17-25-40(11)45(48-43-26-14-13-15-27-43)31-29-42-28-30-44(46-33-42)41(12)32-47-49(35(3)4,36(5)6)37(7)8/h13-15,20-21,24-27,29,35-37,44-45H,12,16-19,22-23,28,30-33H2,1-11H3/b38-21+,39-24+,40-25+,42-29-/t44-,45?/m1/s1
• InChIKey: DZUXSPFKBPSQIW-RHKBRWBTSA-N
• XLogP: 14.54
• TPSA: 18.46 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 21
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.22
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane?

The IUPAC name of tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane (CID 10908678) is tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane.

What is the SMILES notation for tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane?

The canonical SMILES for tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane is C=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CC/C(=C/CC(Sc2ccccc2)/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1.

What is the InChIKey of tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane?

The InChIKey is DZUXSPFKBPSQIW-RHKBRWBTSA-N. The full InChI is InChI=1S/C45H72O2SSi/c1-34(2)20-18-22-39(10)24-19-23-38(9)21-16-17-25-40(11)45(48-43-26-14-13-15-27-43)31-29-42-28-30-44(46-33-42)41(12)32-47-49(35(3)4,36(5)6)37(7)8/h13-15,20-21,24-27,29,35-37,44-45H,12,16-19,22-23,28,30-33H2,1-11H3/b38-21+,39-24+,40-25+,42-29-/t44-,45?/m1/s1.

What are the key properties of tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane?

tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane has a molecular weight of 705.22 g/mol, XLogP of 14.54, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane is sourced from PubChem (CID 10908678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).