methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate

C23H38O5Si — CID 15605696

About methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate

methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate (PubChem CID 15605696) has the molecular formula C23H38O5Si and a molecular weight of 422.64 g/mol. Its IUPAC name is methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate.

Molecular Properties

• Compound Name: methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate
• PubChem CID: 15605696
• Molecular Formula: C23H38O5Si
• Molecular Weight: 422.64 g/mol
• Exact Mass: 422.25
• IUPAC Name: methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate
• SMILES: C=CCOc1ccc([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)C(=O)OC)cc1OC
• InChI: InChI=1S/C23H38O5Si/c1-11-14-27-19-13-12-18(15-20(19)25-7)21(16(2)17(3)22(24)26-8)28-29(9,10)23(4,5)6/h11-13,15-17,21H,1,14H2,2-10H3/t16-,17-,21-/m1/s1
• InChIKey: UKOKRKFYJMUKIO-CBGDNZLLSA-N
• XLogP: 5.77
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.64
LogP ≤ 5	5.77
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 methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate?

The IUPAC name of methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate (CID 15605696) is methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate.

What is the SMILES notation for methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate?

The canonical SMILES for methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate is C=CCOc1ccc([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)C(=O)OC)cc1OC.

What is the InChIKey of methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate?

The InChIKey is UKOKRKFYJMUKIO-CBGDNZLLSA-N. The full InChI is InChI=1S/C23H38O5Si/c1-11-14-27-19-13-12-18(15-20(19)25-7)21(16(2)17(3)22(24)26-8)28-29(9,10)23(4,5)6/h11-13,15-17,21H,1,14H2,2-10H3/t16-,17-,21-/m1/s1.

What are the key properties of methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate?

methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate has a molecular weight of 422.64 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate is sourced from PubChem (CID 15605696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).