methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate

C24H48O6Si2 — CID 10601089

About methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate

methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate (PubChem CID 10601089) has the molecular formula C24H48O6Si2 and a molecular weight of 488.81 g/mol. Its IUPAC name is methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate.

Molecular Properties

• Compound Name: methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate
• PubChem CID: 10601089
• Molecular Formula: C24H48O6Si2
• Molecular Weight: 488.81 g/mol
• Exact Mass: 488.30
• IUPAC Name: methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate
• SMILES: COC(=O)/C=C(\C)[C@H](C[C@]1(COCOCC[Si](C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H48O6Si2/c1-19(15-21(25)26-7)20(29-32(11,12)22(2,3)4)16-24(23(5,6)30-24)17-28-18-27-13-14-31(8,9)10/h15,20H,13-14,16-18H2,1-12H3/b19-15+/t20-,24+/m0/s1
• InChIKey: FRCVQMLYAAXDDP-FGXWLSPUSA-N
• XLogP: 5.76
• TPSA: 66.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.81
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate?

The IUPAC name of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate (CID 10601089) is methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate.

What is the SMILES notation for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate?

The canonical SMILES for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate is COC(=O)/C=C(\C)[C@H](C[C@]1(COCOCC[Si](C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate?

The InChIKey is FRCVQMLYAAXDDP-FGXWLSPUSA-N. The full InChI is InChI=1S/C24H48O6Si2/c1-19(15-21(25)26-7)20(29-32(11,12)22(2,3)4)16-24(23(5,6)30-24)17-28-18-27-13-14-31(8,9)10/h15,20H,13-14,16-18H2,1-12H3/b19-15+/t20-,24+/m0/s1.

What are the key properties of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate?

methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate has a molecular weight of 488.81 g/mol, XLogP of 5.76, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate is sourced from PubChem (CID 10601089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).