(2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one

C21H36O5Si — CID 70676018

About (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one

(2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one (PubChem CID 70676018) has the molecular formula C21H36O5Si and a molecular weight of 396.60 g/mol. Its IUPAC name is (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

• Compound Name: (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one
• PubChem CID: 70676018
• Molecular Formula: C21H36O5Si
• Molecular Weight: 396.60 g/mol
• Exact Mass: 396.23
• IUPAC Name: (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one
• SMILES: C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C/C=C/[C@H]1CC=CC(=O)O1
• InChI: InChI=1S/C21H36O5Si/c1-15(26-27(7,8)20(2,3)4)19-17(24-21(5,6)25-19)13-9-11-16-12-10-14-18(22)23-16/h9-11,14-17,19H,12-13H2,1-8H3/b11-9+/t15-,16+,17-,19-/m1/s1
• InChIKey: RRCUXBIFNPDCHT-XYFBEPPYSA-N
• XLogP: 4.73
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.60
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one?

The IUPAC name of (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one (CID 70676018) is (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one.

What is the SMILES notation for (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one?

The canonical SMILES for (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C/C=C/[C@H]1CC=CC(=O)O1.

What is the InChIKey of (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one?

The InChIKey is RRCUXBIFNPDCHT-XYFBEPPYSA-N. The full InChI is InChI=1S/C21H36O5Si/c1-15(26-27(7,8)20(2,3)4)19-17(24-21(5,6)25-19)13-9-11-16-12-10-14-18(22)23-16/h9-11,14-17,19H,12-13H2,1-8H3/b11-9+/t15-,16+,17-,19-/m1/s1.

What are the key properties of (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one?

(2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one has a molecular weight of 396.60 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 70676018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).