(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one

C20H40O4Si — CID 14105472

About (2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one

(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one (PubChem CID 14105472) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one.

Molecular Properties

• Compound Name: (2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one
• PubChem CID: 14105472
• Molecular Formula: C20H40O4Si
• Molecular Weight: 372.62 g/mol
• Exact Mass: 372.27
• IUPAC Name: (2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one
• SMILES: CCC(=O)[C@H](C)[C@H]1OC(C)(C)O[C@]1(C)[C@@H](CC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H40O4Si/c1-12-15(21)14(3)17-20(9,24-19(7,8)22-17)16(13-2)23-25(10,11)18(4,5)6/h14,16-17H,12-13H2,1-11H3/t14-,16+,17+,20+/m0/s1
• InChIKey: RNTPIUHADNCTHQ-CNVJLJKISA-N
• XLogP: 5.31
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.62
LogP ≤ 5	5.31
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 (2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one?

The IUPAC name of (2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one (CID 14105472) is (2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one.

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

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

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

The InChIKey is RNTPIUHADNCTHQ-CNVJLJKISA-N. The full InChI is InChI=1S/C20H40O4Si/c1-12-15(21)14(3)17-20(9,24-19(7,8)22-17)16(13-2)23-25(10,11)18(4,5)6/h14,16-17H,12-13H2,1-11H3/t14-,16+,17+,20+/m0/s1.

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

(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one has a molecular weight of 372.62 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one is sourced from PubChem (CID 14105472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).