(2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde

C38H72O9Si2 — CID 175882108

About (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde

(2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde (PubChem CID 175882108) has the molecular formula C38H72O9Si2 and a molecular weight of 729.16 g/mol. Its IUPAC name is (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde.

Molecular Properties

• Compound Name: (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde
• PubChem CID: 175882108
• Molecular Formula: C38H72O9Si2
• Molecular Weight: 729.16 g/mol
• Exact Mass: 728.47
• IUPAC Name: (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde
• SMILES: CC[Si](CC)(CC)O[C@@H](C=O)[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@@H](C/C=C/[C@@H]2OC3CC(O[C@H]3COCOCCOC)[C@H]2C)O1
• InChI: InChI=1S/C38H72O9Si2/c1-13-48(14-2,15-3)46-37(23-39)35-22-34(47-49(26(4)5,27(6)7)28(8)9)30(11)32(43-35)18-16-17-31-29(10)33-21-36(44-31)38(45-33)24-42-25-41-20-19-40-12/h16-17,23,26-38H,13-15,18-22,24-25H2,1-12H3/b17-16+/t29-,30-,31-,32+,33?,34-,35-,36?,37-,38-/m0/s1
• InChIKey: KVIBWFLTJMWORQ-GDSXRZRXSA-N
• XLogP: 8.07
• TPSA: 90.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.16
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde?

The IUPAC name of (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde (CID 175882108) is (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde.

What is the SMILES notation for (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde?

The canonical SMILES for (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde is CC[Si](CC)(CC)O[C@@H](C=O)[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@@H](C/C=C/[C@@H]2OC3CC(O[C@H]3COCOCCOC)[C@H]2C)O1.

What is the InChIKey of (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde?

The InChIKey is KVIBWFLTJMWORQ-GDSXRZRXSA-N. The full InChI is InChI=1S/C38H72O9Si2/c1-13-48(14-2,15-3)46-37(23-39)35-22-34(47-49(26(4)5,27(6)7)28(8)9)30(11)32(43-35)18-16-17-31-29(10)33-21-36(44-31)38(45-33)24-42-25-41-20-19-40-12/h16-17,23,26-38H,13-15,18-22,24-25H2,1-12H3/b17-16+/t29-,30-,31-,32+,33?,34-,35-,36?,37-,38-/m0/s1.

What are the key properties of (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde?

(2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde has a molecular weight of 729.16 g/mol, XLogP of 8.07, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-2-triethylsilyloxyacetaldehyde is sourced from PubChem (CID 175882108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).