(3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one

C18H31NO7Si — CID 11014895

About (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one

(3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one (PubChem CID 11014895) has the molecular formula C18H31NO7Si and a molecular weight of 401.53 g/mol. Its IUPAC name is (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one.

Molecular Properties

• Compound Name: (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
• PubChem CID: 11014895
• Molecular Formula: C18H31NO7Si
• Molecular Weight: 401.53 g/mol
• Exact Mass: 401.19
• IUPAC Name: (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
• SMILES: CC(=O)N1C[C@]2(OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O
• InChI: InChI=1S/C18H31NO7Si/c1-11(20)19-10-18(25-15(19)21)14(26-27(7,8)16(2,3)4)13-12(9-22-18)23-17(5,6)24-13/h12-14H,9-10H2,1-8H3/t12-,13-,14+,18+/m1/s1
• InChIKey: JFNXFVJMIDOVJA-ZXTQRBJTSA-N
• XLogP: 2.62
• TPSA: 83.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.53
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one?

The IUPAC name of (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one (CID 11014895) is (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one.

What is the SMILES notation for (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one?

The canonical SMILES for (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one is CC(=O)N1C[C@]2(OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O.

What is the InChIKey of (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one?

The InChIKey is JFNXFVJMIDOVJA-ZXTQRBJTSA-N. The full InChI is InChI=1S/C18H31NO7Si/c1-11(20)19-10-18(25-15(19)21)14(26-27(7,8)16(2,3)4)13-12(9-22-18)23-17(5,6)24-13/h12-14H,9-10H2,1-8H3/t12-,13-,14+,18+/m1/s1.

What are the key properties of (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one?

(3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one has a molecular weight of 401.53 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one is sourced from PubChem (CID 11014895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).