[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate

C32H56O13Si2 — CID 4550892

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)OC1C=COC(CO[Si](C)(C)C(C)(C)C)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C32H56O13Si2/c1-19(33)40-23-15-16-37-24(17-38-46(11,12)31(5,6)7)26(23)45-30-29(43-22(4)36)28(42-21(3)35)27(41-20(2)34)25(44-30)18-39-47(13,14)32(8,9)10/h15-16,23-30H,17-18H2,1-14H3
InChIKeyDBDFJVIRBZJNEH-UHFFFAOYSA-N
MW704.96 g/mol
LogP4.78
Rot. Bonds12

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 4550892) has the molecular formula C32H56O13Si2 and a molecular weight of 704.96 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID4550892
Molecular FormulaC32H56O13Si2
Molecular Weight704.96 g/mol
Exact Mass704.33
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)OC1C=COC(CO[Si](C)(C)C(C)(C)C)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C32H56O13Si2/c1-19(33)40-23-15-16-37-24(17-38-46(11,12)31(5,6)7)26(23)45-30-29(43-22(4)36)28(42-21(3)35)27(41-20(2)34)25(44-30)18-39-47(13,14)32(8,9)10/h15-16,23-30H,17-18H2,1-14H3
InChIKeyDBDFJVIRBZJNEH-UHFFFAOYSA-N
XLogP4.78
TPSA151.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.96
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate (CID 4550892) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate is CC(=O)OC1C=COC(CO[Si](C)(C)C(C)(C)C)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is DBDFJVIRBZJNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O13Si2/c1-19(33)40-23-15-16-37-24(17-38-46(11,12)31(5,6)7)26(23)45-30-29(43-22(4)36)28(42-21(3)35)27(41-20(2)34)25(44-30)18-39-47(13,14)32(8,9)10/h15-16,23-30H,17-18H2,1-14H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 704.96 g/mol, XLogP of 4.78, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 4550892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).