[(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate

C23H44O5Si — CID 11510215

About [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate

[(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate (PubChem CID 11510215) has the molecular formula C23H44O5Si and a molecular weight of 428.69 g/mol. Its IUPAC name is [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate
• PubChem CID: 11510215
• Molecular Formula: C23H44O5Si
• Molecular Weight: 428.69 g/mol
• Exact Mass: 428.30
• IUPAC Name: [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate
• SMILES: C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC)COC(=O)C(C)(C)C
• InChI: InChI=1S/C23H44O5Si/c1-13-16(15-25-20(24)21(3,4)5)18(28-29(11,12)22(6,7)8)19-17(14-2)26-23(9,10)27-19/h14,16-19H,2,13,15H2,1,3-12H3/t16-,17+,18-,19-/m0/s1
• InChIKey: OESOEJZPZSBNMS-RDGPPVDQSA-N
• XLogP: 5.70
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.69
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate (CID 11510215) is [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC)COC(=O)C(C)(C)C.

What is the InChIKey of [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate?

The InChIKey is OESOEJZPZSBNMS-RDGPPVDQSA-N. The full InChI is InChI=1S/C23H44O5Si/c1-13-16(15-25-20(24)21(3,4)5)18(28-29(11,12)22(6,7)8)19-17(14-2)26-23(9,10)27-19/h14,16-19H,2,13,15H2,1,3-12H3/t16-,17+,18-,19-/m0/s1.

What are the key properties of [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate?

[(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate has a molecular weight of 428.69 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11510215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).