[(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane

C44H76O9Si — CID 175882117

About [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane

[(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 175882117) has the molecular formula C44H76O9Si and a molecular weight of 777.17 g/mol. Its IUPAC name is [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 175882117
• Molecular Formula: C44H76O9Si
• Molecular Weight: 777.17 g/mol
• Exact Mass: 776.53
• IUPAC Name: [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane
• SMILES: C=CCC/C=C/[C@@H]1OC2(CCCCC2)O[C@H]1[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/C44H76O9Si/c1-11-12-13-15-19-37-43(52-44(51-37)22-16-14-17-23-44)41-27-39(53-54(30(2)3,31(4)5)32(6)7)34(9)36(49-41)21-18-20-35-33(8)38-26-40(48-35)42(50-38)28-47-29-46-25-24-45-10/h11,15,18-20,30-43H,1,12-14,16-17,21-29H2,2-10H3/b19-15+,20-18+/t33-,34-,35-,36+,37-,38?,39-,40?,41-,42-,43+/m0/s1
• InChIKey: VDJOAPXKJCUYFH-OOAGELGJSA-N
• XLogP: 9.45
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.17
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'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,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane (CID 175882117) is [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane is C=CCC/C=C/[C@@H]1OC2(CCCCC2)O[C@H]1[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,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is VDJOAPXKJCUYFH-OOAGELGJSA-N. The full InChI is InChI=1S/C44H76O9Si/c1-11-12-13-15-19-37-43(52-44(51-37)22-16-14-17-23-44)41-27-39(53-54(30(2)3,31(4)5)32(6)7)34(9)36(49-41)21-18-20-35-33(8)38-26-40(48-35)42(50-38)28-47-29-46-25-24-45-10/h11,15,18-20,30-43H,1,12-14,16-17,21-29H2,2-10H3/b19-15+,20-18+/t33-,34-,35-,36+,37-,38?,39-,40?,41-,42-,43+/m0/s1.

What are the key properties of [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane?

[(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 777.17 g/mol, XLogP of 9.45, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 175882117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).