ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate

C26H42O5Si — CID 10695384

About ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate

ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate (PubChem CID 10695384) has the molecular formula C26H42O5Si and a molecular weight of 462.70 g/mol. Its IUPAC name is ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate.

Molecular Properties

• Compound Name: ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate
• PubChem CID: 10695384
• Molecular Formula: C26H42O5Si
• Molecular Weight: 462.70 g/mol
• Exact Mass: 462.28
• IUPAC Name: ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate
• SMILES: CCOC(=O)/C(C)=C\[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H](OCc2ccccc2)[C@H]1C
• InChI: InChI=1S/C26H42O5Si/c1-9-28-25(27)19(2)15-24-20(3)23(29-17-21-13-11-10-12-14-21)16-22(31-24)18-30-32(7,8)26(4,5)6/h10-15,20,22-24H,9,16-18H2,1-8H3/b19-15-/t20-,22-,23+,24-/m1/s1
• InChIKey: GDTOTDWLPNLQOF-SPSROHGTSA-N
• XLogP: 5.90
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.70
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate?

The IUPAC name of ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate (CID 10695384) is ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate.

What is the SMILES notation for ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate?

The canonical SMILES for ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate is CCOC(=O)/C(C)=C\[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H](OCc2ccccc2)[C@H]1C.

What is the InChIKey of ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate?

The InChIKey is GDTOTDWLPNLQOF-SPSROHGTSA-N. The full InChI is InChI=1S/C26H42O5Si/c1-9-28-25(27)19(2)15-24-20(3)23(29-17-21-13-11-10-12-14-21)16-22(31-24)18-30-32(7,8)26(4,5)6/h10-15,20,22-24H,9,16-18H2,1-8H3/b19-15-/t20-,22-,23+,24-/m1/s1.

What are the key properties of ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate?

ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate has a molecular weight of 462.70 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate is sourced from PubChem (CID 10695384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).