[(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate

C33H62O8Si2 — CID 11250744

About [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate

[(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate (PubChem CID 11250744) has the molecular formula C33H62O8Si2 and a molecular weight of 643.02 g/mol. Its IUPAC name is [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate.

Molecular Properties

• Compound Name: [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate
• PubChem CID: 11250744
• Molecular Formula: C33H62O8Si2
• Molecular Weight: 643.02 g/mol
• Exact Mass: 642.40
• IUPAC Name: [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate
• SMILES: C=C[C@H]1O[C@H]([C@@]2(OC)OCC[C@@H](C)[C@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1OC(=O)[C@H](C)[C@H](CCCC=O)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C33H62O8Si2/c1-15-25-27(39-30(35)24(3)26(18-16-17-20-34)40-42(11,12)31(4,5)6)22-28(38-25)33(36-10)29(23(2)19-21-37-33)41-43(13,14)32(7,8)9/h15,20,23-29H,1,16-19,21-22H2,2-14H3/t23-,24-,25-,26+,27-,28+,29-,33-/m1/s1
• InChIKey: MFQUROASVSWTPN-IRQXMAGXSA-N
• XLogP: 7.43
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.02
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate?

The IUPAC name of [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate (CID 11250744) is [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate.

What is the SMILES notation for [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate?

The canonical SMILES for [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate is C=C[C@H]1O[C@H]([C@@]2(OC)OCC[C@@H](C)[C@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1OC(=O)[C@H](C)[C@H](CCCC=O)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate?

The InChIKey is MFQUROASVSWTPN-IRQXMAGXSA-N. The full InChI is InChI=1S/C33H62O8Si2/c1-15-25-27(39-30(35)24(3)26(18-16-17-20-34)40-42(11,12)31(4,5)6)22-28(38-25)33(36-10)29(23(2)19-21-37-33)41-43(13,14)32(7,8)9/h15,20,23-29H,1,16-19,21-22H2,2-14H3/t23-,24-,25-,26+,27-,28+,29-,33-/m1/s1.

What are the key properties of [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate?

[(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate has a molecular weight of 643.02 g/mol, XLogP of 7.43, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate is sourced from PubChem (CID 11250744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).