methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate

C21H44O5Si2 — CID 24749922

About methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate

methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate (PubChem CID 24749922) has the molecular formula C21H44O5Si2 and a molecular weight of 432.75 g/mol. Its IUPAC name is methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate.

Molecular Properties

• Compound Name: methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate
• PubChem CID: 24749922
• Molecular Formula: C21H44O5Si2
• Molecular Weight: 432.75 g/mol
• Exact Mass: 432.27
• IUPAC Name: methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate
• SMILES: COC(=O)/C=C(/OC)[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H44O5Si2/c1-16(17(23-8)14-19(22)24-9)18(26-28(12,13)21(5,6)7)15-25-27(10,11)20(2,3)4/h14,16,18H,15H2,1-13H3/b17-14+/t16-,18-/m0/s1
• InChIKey: FIJIFEFPBSNXSY-RMFBKJGXSA-N
• XLogP: 5.74
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.75
LogP ≤ 5	5.74
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate?

The IUPAC name of methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate (CID 24749922) is methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate.

What is the SMILES notation for methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate?

The canonical SMILES for methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate is COC(=O)/C=C(/OC)[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate?

The InChIKey is FIJIFEFPBSNXSY-RMFBKJGXSA-N. The full InChI is InChI=1S/C21H44O5Si2/c1-16(17(23-8)14-19(22)24-9)18(26-28(12,13)21(5,6)7)15-25-27(10,11)20(2,3)4/h14,16,18H,15H2,1-13H3/b17-14+/t16-,18-/m0/s1.

What are the key properties of methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate?

methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate has a molecular weight of 432.75 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate is sourced from PubChem (CID 24749922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).