[(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate

C14H24O7Si — CID 44511281

IUPAC[(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate
SMILESCC1(C)O[C@H]2O[C@H](C=O)[C@H](OC(=O)OCC[Si](C)(C)C)[C@H]2O1
InChIInChI=1S/C14H24O7Si/c1-14(2)20-11-10(9(8-15)18-12(11)21-14)19-13(16)17-6-7-22(3,4)5/h8-12H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyWMQJGMHRAGUZLU-WRWGMCAJSA-N
MW332.43 g/mol
LogP1.92
Rot. Bonds5

About [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate

[(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate (PubChem CID 44511281) has the molecular formula C14H24O7Si and a molecular weight of 332.43 g/mol. Its IUPAC name is [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate.

Molecular Properties

Compound Name[(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate
PubChem CID44511281
Molecular FormulaC14H24O7Si
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate
SMILESCC1(C)O[C@H]2O[C@H](C=O)[C@H](OC(=O)OCC[Si](C)(C)C)[C@H]2O1
InChIInChI=1S/C14H24O7Si/c1-14(2)20-11-10(9(8-15)18-12(11)21-14)19-13(16)17-6-7-22(3,4)5/h8-12H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyWMQJGMHRAGUZLU-WRWGMCAJSA-N
XLogP1.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate?
The IUPAC name of [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate (CID 44511281) is [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate.
What is the SMILES notation for [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate?
The canonical SMILES for [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate is CC1(C)O[C@H]2O[C@H](C=O)[C@H](OC(=O)OCC[Si](C)(C)C)[C@H]2O1.
What is the InChIKey of [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate?
The InChIKey is WMQJGMHRAGUZLU-WRWGMCAJSA-N. The full InChI is InChI=1S/C14H24O7Si/c1-14(2)20-11-10(9(8-15)18-12(11)21-14)19-13(16)17-6-7-22(3,4)5/h8-12H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate?
[(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate has a molecular weight of 332.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-trimethylsilylethyl carbonate is sourced from PubChem (CID 44511281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).