(1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one

C22H34O4Si — CID 11188466

About (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one

(1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one (PubChem CID 11188466) has the molecular formula C22H34O4Si and a molecular weight of 390.60 g/mol. Its IUPAC name is (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one.

Molecular Properties

• Compound Name: (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one
• PubChem CID: 11188466
• Molecular Formula: C22H34O4Si
• Molecular Weight: 390.60 g/mol
• Exact Mass: 390.22
• IUPAC Name: (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one
• SMILES: CC[Si](CC)(CC)O[C@H]1C=CO[C@@H]([C@H](OCc2ccccc2)C(C)=O)[C@@H]1C
• InChI: InChI=1S/C22H34O4Si/c1-6-27(7-2,8-3)26-20-14-15-24-21(17(20)4)22(18(5)23)25-16-19-12-10-9-11-13-19/h9-15,17,20-22H,6-8,16H2,1-5H3/t17-,20+,21-,22-/m1/s1
• InChIKey: NCRXBSFOXBGETJ-XYEHWOGUSA-N
• XLogP: 5.10
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.60
LogP ≤ 5	5.10
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 (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one?

The IUPAC name of (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one (CID 11188466) is (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one.

What is the SMILES notation for (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one?

The canonical SMILES for (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one is CC[Si](CC)(CC)O[C@H]1C=CO[C@@H]([C@H](OCc2ccccc2)C(C)=O)[C@@H]1C.

What is the InChIKey of (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one?

The InChIKey is NCRXBSFOXBGETJ-XYEHWOGUSA-N. The full InChI is InChI=1S/C22H34O4Si/c1-6-27(7-2,8-3)26-20-14-15-24-21(17(20)4)22(18(5)23)25-16-19-12-10-9-11-13-19/h9-15,17,20-22H,6-8,16H2,1-5H3/t17-,20+,21-,22-/m1/s1.

What are the key properties of (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one?

(1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one has a molecular weight of 390.60 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-1-phenylmethoxypropan-2-one is sourced from PubChem (CID 11188466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).