1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one

C18H32N2O6Si2 — CID 22215217

About 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one

1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one (PubChem CID 22215217) has the molecular formula C18H32N2O6Si2 and a molecular weight of 428.63 g/mol. Its IUPAC name is 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one.

Molecular Properties

• Compound Name: 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one
• PubChem CID: 22215217
• Molecular Formula: C18H32N2O6Si2
• Molecular Weight: 428.63 g/mol
• Exact Mass: 428.18
• IUPAC Name: 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one
• SMILES: CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C)O[C@H]2n1ccc(O[Si](C)(C)C)nc1=O
• InChI: InChI=1S/C18H32N2O6Si2/c1-18(2)24-14-12(11-22-27(3,4)5)23-16(15(14)25-18)20-10-9-13(19-17(20)21)26-28(6,7)8/h9-10,12,14-16H,11H2,1-8H3/t12-,14-,15-,16-/m1/s1
• InChIKey: UBCUFUABDIWMIX-DTZQCDIJSA-N
• XLogP: 2.73
• TPSA: 81.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.63
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one?

The IUPAC name of 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one (CID 22215217) is 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one.

What is the SMILES notation for 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one?

The canonical SMILES for 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C)O[C@H]2n1ccc(O[Si](C)(C)C)nc1=O.

What is the InChIKey of 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one?

The InChIKey is UBCUFUABDIWMIX-DTZQCDIJSA-N. The full InChI is InChI=1S/C18H32N2O6Si2/c1-18(2)24-14-12(11-22-27(3,4)5)23-16(15(14)25-18)20-10-9-13(19-17(20)21)26-28(6,7)8/h9-10,12,14-16H,11H2,1-8H3/t12-,14-,15-,16-/m1/s1.

What are the key properties of 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one?

1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one has a molecular weight of 428.63 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(trimethylsilyloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-trimethylsilyloxypyrimidin-2-one is sourced from PubChem (CID 22215217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).