methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C38H70O11Si — CID 11308631

About methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 11308631) has the molecular formula C38H70O11Si and a molecular weight of 731.05 g/mol. Its IUPAC name is methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
• PubChem CID: 11308631
• Molecular Formula: C38H70O11Si
• Molecular Weight: 731.05 g/mol
• Exact Mass: 730.47
• IUPAC Name: methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
• SMILES: COC(=O)C[C@H]1C[C@@H](C[C@@H]2C[C@H](C[C@H]3C[C@H](C[C@@H]4C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O4)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1
• InChI: InChI=1S/C38H70O11Si/c1-34(2,3)50(13,14)41-16-15-25-17-26(43-35(4,5)42-25)18-27-19-28(45-36(6,7)44-27)20-29-21-30(47-37(8,9)46-29)22-31-23-32(24-33(39)40-12)49-38(10,11)48-31/h25-32H,15-24H2,1-14H3/t25-,26-,27-,28+,29-,30-,31+,32+/m0/s1
• InChIKey: VBCSRGHDXHOSTI-KDWZEFHUSA-N
• XLogP: 7.77
• TPSA: 109.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	731.05
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?

The IUPAC name of methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 11308631) is methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

What is the SMILES notation for methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?

The canonical SMILES for methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is COC(=O)C[C@H]1C[C@@H](C[C@@H]2C[C@H](C[C@H]3C[C@H](C[C@@H]4C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O4)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1.

What is the InChIKey of methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?

The InChIKey is VBCSRGHDXHOSTI-KDWZEFHUSA-N. The full InChI is InChI=1S/C38H70O11Si/c1-34(2,3)50(13,14)41-16-15-25-17-26(43-35(4,5)42-25)18-27-19-28(45-36(6,7)44-27)20-29-21-30(47-37(8,9)46-29)22-31-23-32(24-33(39)40-12)49-38(10,11)48-31/h25-32H,15-24H2,1-14H3/t25-,26-,27-,28+,29-,30-,31+,32+/m0/s1.

What are the key properties of methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?

methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 731.05 g/mol, XLogP of 7.77, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 11308631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).