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

C22H44O6Si2 — CID 134867143

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

[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate (PubChem CID 134867143) has the molecular formula C22H44O6Si2 and a molecular weight of 460.76 g/mol. Its IUPAC name is [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate.

Molecular Properties

• Compound Name: [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate
• PubChem CID: 134867143
• Molecular Formula: C22H44O6Si2
• Molecular Weight: 460.76 g/mol
• Exact Mass: 460.27
• IUPAC Name: [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate
• SMILES: C=CC(=O)O[C@@H]1C(C)O[C@H](OC)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H44O6Si2/c1-14-16(23)26-17-15(2)25-20(24-9)19(28-30(12,13)22(6,7)8)18(17)27-29(10,11)21(3,4)5/h14-15,17-20H,1H2,2-13H3/t15?,17-,18+,19?,20+/m1/s1
• InChIKey: VAVVVDCRIBSIJU-ADDNQGIHSA-N
• XLogP: 5.26
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.76
LogP ≤ 5	5.26
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,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate?

The IUPAC name of [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate (CID 134867143) is [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate.

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

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

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

The InChIKey is VAVVVDCRIBSIJU-ADDNQGIHSA-N. The full InChI is InChI=1S/C22H44O6Si2/c1-14-16(23)26-17-15(2)25-20(24-9)19(28-30(12,13)22(6,7)8)18(17)27-29(10,11)21(3,4)5/h14-15,17-20H,1H2,2-13H3/t15?,17-,18+,19?,20+/m1/s1.

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

[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate has a molecular weight of 460.76 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate is sourced from PubChem (CID 134867143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).