[(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane

C37H40O5Si — CID 100924495

About [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane

[(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane (PubChem CID 100924495) has the molecular formula C37H40O5Si and a molecular weight of 592.81 g/mol. Its IUPAC name is [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane.

Molecular Properties

• Compound Name: [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane
• PubChem CID: 100924495
• Molecular Formula: C37H40O5Si
• Molecular Weight: 592.81 g/mol
• Exact Mass: 592.26
• IUPAC Name: [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane
• SMILES: CC1(C)O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O/C=C\[Si](C)(C)c3ccccc3)[C@H]2O1
• InChI: InChI=1S/C37H40O5Si/c1-36(2)41-34-33(38-25-26-43(3,4)31-23-15-8-16-24-31)32(40-35(34)42-36)27-39-37(28-17-9-5-10-18-28,29-19-11-6-12-20-29)30-21-13-7-14-22-30/h5-26,32-35H,27H2,1-4H3/b26-25-/t32-,33+,34-,35-/m1/s1
• InChIKey: JOMSHYHHQLOFGN-LOAWBJJLSA-N
• XLogP: 6.93
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.81
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane?

The IUPAC name of [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane (CID 100924495) is [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane.

What is the SMILES notation for [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane?

The canonical SMILES for [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane is CC1(C)O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O/C=C\[Si](C)(C)c3ccccc3)[C@H]2O1.

What is the InChIKey of [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane?

The InChIKey is JOMSHYHHQLOFGN-LOAWBJJLSA-N. The full InChI is InChI=1S/C37H40O5Si/c1-36(2)41-34-33(38-25-26-43(3,4)31-23-15-8-16-24-31)32(40-35(34)42-36)27-39-37(28-17-9-5-10-18-28,29-19-11-6-12-20-29)30-21-13-7-14-22-30/h5-26,32-35H,27H2,1-4H3/b26-25-/t32-,33+,34-,35-/m1/s1.

What are the key properties of [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane?

[(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane has a molecular weight of 592.81 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane is sourced from PubChem (CID 100924495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).