2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate

C24H40O11Si — CID 90917233

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate (PubChem CID 90917233) has the molecular formula C24H40O11Si and a molecular weight of 532.66 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate.

Molecular Properties

• Compound Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate
• PubChem CID: 90917233
• Molecular Formula: C24H40O11Si
• Molecular Weight: 532.66 g/mol
• Exact Mass: 532.23
• IUPAC Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate
• SMILES: CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O.CC(C)(C)[Si](C)(C)OCC1OC=CC(O)C1O
• InChI: InChI=1S/C12H16O7.C12H24O4Si/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14;1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h4-5,10-12H,6H2,1-3H3;6-7,9-11,13-14H,8H2,1-5H3
• InChIKey: QIKFNZBBRAKKPR-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 147.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.66
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate?

The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate (CID 90917233) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate.

What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate?

The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate is CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O.CC(C)(C)[Si](C)(C)OCC1OC=CC(O)C1O.

What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate?

The InChIKey is QIKFNZBBRAKKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O7.C12H24O4Si/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14;1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h4-5,10-12H,6H2,1-3H3;6-7,9-11,13-14H,8H2,1-5H3.

What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate?

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate has a molecular weight of 532.66 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol;(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate is sourced from PubChem (CID 90917233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).