1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one

C15H30O4Si — CID 11514980

About 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one

1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one (PubChem CID 11514980) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one
• PubChem CID: 11514980
• Molecular Formula: C15H30O4Si
• Molecular Weight: 302.49 g/mol
• Exact Mass: 302.19
• IUPAC Name: 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one
• SMILES: CC(=O)C[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C15H30O4Si/c1-11(16)9-12-13(19-15(5,6)18-12)10-17-20(7,8)14(2,3)4/h12-13H,9-10H2,1-8H3/t12-,13-/m1/s1
• InChIKey: ISUXVCQJXSRCST-CHWSQXEVSA-N
• XLogP: 3.51
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.49
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one?

The IUPAC name of 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one (CID 11514980) is 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one.

What is the SMILES notation for 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one?

The canonical SMILES for 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one is CC(=O)C[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one?

The InChIKey is ISUXVCQJXSRCST-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-11(16)9-12-13(19-15(5,6)18-12)10-17-20(7,8)14(2,3)4/h12-13H,9-10H2,1-8H3/t12-,13-/m1/s1.

What are the key properties of 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one?

1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one has a molecular weight of 302.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one is sourced from PubChem (CID 11514980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).