methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate

C33H66O8Si3 — CID 10818255

About methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate

methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate (PubChem CID 10818255) has the molecular formula C33H66O8Si3 and a molecular weight of 675.14 g/mol. Its IUPAC name is methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate
• PubChem CID: 10818255
• Molecular Formula: C33H66O8Si3
• Molecular Weight: 675.14 g/mol
• Exact Mass: 674.41
• IUPAC Name: methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate
• SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H]2O[C@H](CC(=O)OC)[C@H](O[Si](CC)(CC)CC)[C@@H]2O[C@H]2CC[C@H](CCO[Si](C)(C)C(C)(C)C)O[C@H]12
• InChI: InChI=1S/C33H66O8Si3/c1-13-43(14-2,15-3)40-29-26(23-27(34)35-10)39-31-30(29)38-25-20-19-24(21-22-36-42(11,12)33(7,8)9)37-28(25)32(31)41-44(16-4,17-5)18-6/h24-26,28-32H,13-23H2,1-12H3/t24-,25+,26-,28+,29+,30+,31-,32+/m1/s1
• InChIKey: MALJCKCMVZFUQI-IKCVFFNYSA-N
• XLogP: 7.82
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.14
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate?

The IUPAC name of methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate (CID 10818255) is methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate.

What is the SMILES notation for methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate?

The canonical SMILES for methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate is CC[Si](CC)(CC)O[C@@H]1[C@@H]2O[C@H](CC(=O)OC)[C@H](O[Si](CC)(CC)CC)[C@@H]2O[C@H]2CC[C@H](CCO[Si](C)(C)C(C)(C)C)O[C@H]12.

What is the InChIKey of methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate?

The InChIKey is MALJCKCMVZFUQI-IKCVFFNYSA-N. The full InChI is InChI=1S/C33H66O8Si3/c1-13-43(14-2,15-3)40-29-26(23-27(34)35-10)39-31-30(29)38-25-20-19-24(21-22-36-42(11,12)33(7,8)9)37-28(25)32(31)41-44(16-4,17-5)18-6/h24-26,28-32H,13-23H2,1-12H3/t24-,25+,26-,28+,29+,30+,31-,32+/m1/s1.

What are the key properties of methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate?

methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate has a molecular weight of 675.14 g/mol, XLogP of 7.82, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetate is sourced from PubChem (CID 10818255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).