dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate

C24H48O6Si4 — CID 10745132

About dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate

dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate (PubChem CID 10745132) has the molecular formula C24H48O6Si4 and a molecular weight of 544.99 g/mol. Its IUPAC name is dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate.

Molecular Properties

• Compound Name: dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate
• PubChem CID: 10745132
• Molecular Formula: C24H48O6Si4
• Molecular Weight: 544.99 g/mol
• Exact Mass: 544.25
• IUPAC Name: dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate
• SMILES: COC(=O)CC1CC(C(=O)OC)(C(=O)OC)CC1/C=C/C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C24H48O6Si4/c1-28-21(25)16-20-18-24(22(26)29-2,23(27)30-3)17-19(20)14-13-15-34(31(4,5)6,32(7,8)9)33(10,11)12/h13-14,19-20H,15-18H2,1-12H3/b14-13+
• InChIKey: YJBIULKTQVTGCW-BUHFOSPRSA-N
• XLogP: 5.16
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.99
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate?

The IUPAC name of dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate (CID 10745132) is dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate.

What is the SMILES notation for dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate?

The canonical SMILES for dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate is COC(=O)CC1CC(C(=O)OC)(C(=O)OC)CC1/C=C/C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.

What is the InChIKey of dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate?

The InChIKey is YJBIULKTQVTGCW-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H48O6Si4/c1-28-21(25)16-20-18-24(22(26)29-2,23(27)30-3)17-19(20)14-13-15-34(31(4,5)6,32(7,8)9)33(10,11)12/h13-14,19-20H,15-18H2,1-12H3/b14-13+.

What are the key properties of dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate?

dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate has a molecular weight of 544.99 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 3-(2-methoxy-2-oxoethyl)-4-[(E)-3-tris(trimethylsilyl)silylprop-1-enyl]cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10745132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).