[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate

C23H46O6Si2 — CID 134835383

About [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate

[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate (PubChem CID 134835383) has the molecular formula C23H46O6Si2 and a molecular weight of 474.79 g/mol. Its IUPAC name is [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate.

Molecular Properties

• Compound Name: [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
• PubChem CID: 134835383
• Molecular Formula: C23H46O6Si2
• Molecular Weight: 474.79 g/mol
• Exact Mass: 474.28
• IUPAC Name: [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
• SMILES: C/C=C/C(=O)O[C@@H]1C(C)O[C@H](OC)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H46O6Si2/c1-14-15-17(24)27-18-16(2)26-21(25-9)20(29-31(12,13)23(6,7)8)19(18)28-30(10,11)22(3,4)5/h14-16,18-21H,1-13H3/b15-14+/t16?,18-,19?,20?,21+/m1/s1
• InChIKey: LCDXIBZQQGBYNQ-KYFYLGHUSA-N
• XLogP: 5.65
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.79
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate (CID 134835383) is [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate.

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

The canonical SMILES for [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate is C/C=C/C(=O)O[C@@H]1C(C)O[C@H](OC)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is LCDXIBZQQGBYNQ-KYFYLGHUSA-N. The full InChI is InChI=1S/C23H46O6Si2/c1-14-15-17(24)27-18-16(2)26-21(25-9)20(29-31(12,13)23(6,7)8)19(18)28-30(10,11)22(3,4)5/h14-16,18-21H,1-13H3/b15-14+/t16?,18-,19?,20?,21+/m1/s1.

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

[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate has a molecular weight of 474.79 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate is sourced from PubChem (CID 134835383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).