dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate

C24H48O6Si2 — CID 53381051

About dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate

dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate (PubChem CID 53381051) has the molecular formula C24H48O6Si2 and a molecular weight of 488.81 g/mol. Its IUPAC name is dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate.

Molecular Properties

• Compound Name: dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate
• PubChem CID: 53381051
• Molecular Formula: C24H48O6Si2
• Molecular Weight: 488.81 g/mol
• Exact Mass: 488.30
• IUPAC Name: dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate
• SMILES: COC(=O)C[C@@H](C/C=C/C[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H48O6Si2/c1-23(2,3)31(9,10)29-19(17-21(25)27-7)15-13-14-16-20(18-22(26)28-8)30-32(11,12)24(4,5)6/h13-14,19-20H,15-18H2,1-12H3/b14-13+/t19-,20-/m1/s1
• InChIKey: VXPGQCGVYDYKQT-CUVMAEJSSA-N
• XLogP: 6.23
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.81
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate?

The IUPAC name of dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate (CID 53381051) is dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate.

What is the SMILES notation for dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate?

The canonical SMILES for dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate is COC(=O)C[C@@H](C/C=C/C[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate?

The InChIKey is VXPGQCGVYDYKQT-CUVMAEJSSA-N. The full InChI is InChI=1S/C24H48O6Si2/c1-23(2,3)31(9,10)29-19(17-21(25)27-7)15-13-14-16-20(18-22(26)28-8)30-32(11,12)24(4,5)6/h13-14,19-20H,15-18H2,1-12H3/b14-13+/t19-,20-/m1/s1.

What are the key properties of dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate?

dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate has a molecular weight of 488.81 g/mol, XLogP of 6.23, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl (E,3R,8R)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]dec-5-enedioate is sourced from PubChem (CID 53381051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).