methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate

C32H35NO7 — CID 618344

IUPACmethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CCN(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C3OC(C)(C)OC32)O1
InChIInChI=1S/C32H35NO7/c1-31(2)38-27-26(37-29(28(27)39-31)33-20-19-25(40-33)30(34)35-3)21-36-32(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-29H,19-21H2,1-3H3
InChIKeyWPSIXPIZLUMVGN-UHFFFAOYSA-N
MW545.63 g/mol
LogP4.42
Rot. Bonds8

About methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate

methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate (PubChem CID 618344) has the molecular formula C32H35NO7 and a molecular weight of 545.63 g/mol. Its IUPAC name is methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate
PubChem CID618344
Molecular FormulaC32H35NO7
Molecular Weight545.63 g/mol
Exact Mass545.24
IUPAC Namemethyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CCN(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C3OC(C)(C)OC32)O1
InChIInChI=1S/C32H35NO7/c1-31(2)38-27-26(37-29(28(27)39-31)33-20-19-25(40-33)30(34)35-3)21-36-32(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-29H,19-21H2,1-3H3
InChIKeyWPSIXPIZLUMVGN-UHFFFAOYSA-N
XLogP4.42
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.63
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate (CID 618344) is methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate is COC(=O)C1CCN(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C3OC(C)(C)OC32)O1.
What is the InChIKey of methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate?
The InChIKey is WPSIXPIZLUMVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO7/c1-31(2)38-27-26(37-29(28(27)39-31)33-20-19-25(40-33)30(34)35-3)21-36-32(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-29H,19-21H2,1-3H3.
What are the key properties of methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate?
methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate has a molecular weight of 545.63 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 618344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).