[(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane

C26H50O2Si2 — CID 101473266

About [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane

[(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane (PubChem CID 101473266) has the molecular formula C26H50O2Si2 and a molecular weight of 450.86 g/mol. Its IUPAC name is [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane
• PubChem CID: 101473266
• Molecular Formula: C26H50O2Si2
• Molecular Weight: 450.86 g/mol
• Exact Mass: 450.33
• IUPAC Name: [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane
• SMILES: C=CC/C(=C1/COC([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]1(C)C=C)[Si](C)(C)C
• InChI: InChI=1S/C26H50O2Si2/c1-14-16-24(29(11,12)13)23-18-27-25(26(23,10)15-2)22(9)17-28-30(19(3)4,20(5)6)21(7)8/h14-15,19-22,25H,1-2,16-18H2,3-13H3/b24-23+/t22-,25?,26+/m1/s1
• InChIKey: CPFBUHROGCVCMJ-DDEOLSJPSA-N
• XLogP: 8.16
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.86
LogP ≤ 5	8.16
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 [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane?

The IUPAC name of [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane (CID 101473266) is [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane.

What is the SMILES notation for [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane?

The canonical SMILES for [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane is C=CC/C(=C1/COC([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]1(C)C=C)[Si](C)(C)C.

What is the InChIKey of [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane?

The InChIKey is CPFBUHROGCVCMJ-DDEOLSJPSA-N. The full InChI is InChI=1S/C26H50O2Si2/c1-14-16-24(29(11,12)13)23-18-27-25(26(23,10)15-2)22(9)17-28-30(19(3)4,20(5)6)21(7)8/h14-15,19-22,25H,1-2,16-18H2,3-13H3/b24-23+/t22-,25?,26+/m1/s1.

What are the key properties of [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane?

[(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane has a molecular weight of 450.86 g/mol, XLogP of 8.16, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 101473266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).