[(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate

C26H46O7Si — CID 102190488

About [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate

[(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate (PubChem CID 102190488) has the molecular formula C26H46O7Si and a molecular weight of 498.73 g/mol. Its IUPAC name is [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate
• PubChem CID: 102190488
• Molecular Formula: C26H46O7Si
• Molecular Weight: 498.73 g/mol
• Exact Mass: 498.30
• IUPAC Name: [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate
• SMILES: CCOC(=O)CC(=O)[C@H](OC(=O)C(C)(C)C)[C@@H]1C=CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1
• InChI: InChI=1S/C26H46O7Si/c1-11-30-23(28)15-21(27)24(33-25(29)26(8,9)10)22-14-12-13-20(32-22)16-31-34(17(2)3,18(4)5)19(6)7/h12,14,17-20,22,24H,11,13,15-16H2,1-10H3/t20-,22-,24-/m0/s1
• InChIKey: KCWLPNBZQVGGOW-SSPYTLHUSA-N
• XLogP: 5.37
• TPSA: 88.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.73
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'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 [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate?

The IUPAC name of [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate (CID 102190488) is [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate is CCOC(=O)CC(=O)[C@H](OC(=O)C(C)(C)C)[C@@H]1C=CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1.

What is the InChIKey of [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate?

The InChIKey is KCWLPNBZQVGGOW-SSPYTLHUSA-N. The full InChI is InChI=1S/C26H46O7Si/c1-11-30-23(28)15-21(27)24(33-25(29)26(8,9)10)22-14-12-13-20(32-22)16-31-34(17(2)3,18(4)5)19(6)7/h12,14,17-20,22,24H,11,13,15-16H2,1-10H3/t20-,22-,24-/m0/s1.

What are the key properties of [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate?

[(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate has a molecular weight of 498.73 g/mol, XLogP of 5.37, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 102190488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).