methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate

C27H52O6Si — CID 23253343

About methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate

methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate (PubChem CID 23253343) has the molecular formula C27H52O6Si and a molecular weight of 500.79 g/mol. Its IUPAC name is methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate.

Molecular Properties

• Compound Name: methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate
• PubChem CID: 23253343
• Molecular Formula: C27H52O6Si
• Molecular Weight: 500.79 g/mol
• Exact Mass: 500.35
• IUPAC Name: methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate
• SMILES: CC[C@H]1OC(C)(C)O[C@@]1(C)CCC(=O)[C@H](C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC
• InChI: InChI=1S/C27H52O6Si/c1-14-22-27(10,33-26(8,9)31-22)16-15-21(28)18(2)17-19(3)23(20(4)24(29)30-11)32-34(12,13)25(5,6)7/h18-20,22-23H,14-17H2,1-13H3/t18-,19+,20-,22-,23+,27+/m1/s1
• InChIKey: AWUXMYFDKNCNEX-FPBIHEHWSA-N
• XLogP: 6.52
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.79
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate?

The IUPAC name of methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate (CID 23253343) is methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate.

What is the SMILES notation for methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate?

The canonical SMILES for methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate is CC[C@H]1OC(C)(C)O[C@@]1(C)CCC(=O)[C@H](C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC.

What is the InChIKey of methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate?

The InChIKey is AWUXMYFDKNCNEX-FPBIHEHWSA-N. The full InChI is InChI=1S/C27H52O6Si/c1-14-22-27(10,33-26(8,9)31-22)16-15-21(28)18(2)17-19(3)23(20(4)24(29)30-11)32-34(12,13)25(5,6)7/h18-20,22-23H,14-17H2,1-13H3/t18-,19+,20-,22-,23+,27+/m1/s1.

What are the key properties of methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate?

methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate has a molecular weight of 500.79 g/mol, XLogP of 6.52, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate is sourced from PubChem (CID 23253343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).