(2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one

C34H42O3Si — CID 11466657

About (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one

(2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one (PubChem CID 11466657) has the molecular formula C34H42O3Si and a molecular weight of 526.79 g/mol. Its IUPAC name is (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one.

Molecular Properties

• Compound Name: (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one
• PubChem CID: 11466657
• Molecular Formula: C34H42O3Si
• Molecular Weight: 526.79 g/mol
• Exact Mass: 526.29
• IUPAC Name: (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one
• SMILES: C=CC[C@H]1CC(=O)[C@](C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CCc2ccccc2)O1
• InChI: InChI=1S/C34H42O3Si/c1-6-16-28-25-31(35)34(5,32(37-28)24-23-27-17-10-7-11-18-27)26-36-38(33(2,3)4,29-19-12-8-13-20-29)30-21-14-9-15-22-30/h6-15,17-22,28,32H,1,16,23-26H2,2-5H3/t28-,32+,34-/m0/s1
• InChIKey: VUZZHHAUVWYVFY-OKRUAUFTSA-N
• XLogP: 6.50
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.79
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one?

The IUPAC name of (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one (CID 11466657) is (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one.

What is the SMILES notation for (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one?

The canonical SMILES for (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one is C=CC[C@H]1CC(=O)[C@](C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CCc2ccccc2)O1.

What is the InChIKey of (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one?

The InChIKey is VUZZHHAUVWYVFY-OKRUAUFTSA-N. The full InChI is InChI=1S/C34H42O3Si/c1-6-16-28-25-31(35)34(5,32(37-28)24-23-27-17-10-7-11-18-27)26-36-38(33(2,3)4,29-19-12-8-13-20-29)30-21-14-9-15-22-30/h6-15,17-22,28,32H,1,16,23-26H2,2-5H3/t28-,32+,34-/m0/s1.

What are the key properties of (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one?

(2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one has a molecular weight of 526.79 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(2-phenylethyl)-6-prop-2-enyloxan-4-one is sourced from PubChem (CID 11466657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).