(4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one

C26H48O5Si — CID 90878718

About (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one

(4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one (PubChem CID 90878718) has the molecular formula C26H48O5Si and a molecular weight of 468.75 g/mol. Its IUPAC name is (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one.

Molecular Properties

• Compound Name: (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one
• PubChem CID: 90878718
• Molecular Formula: C26H48O5Si
• Molecular Weight: 468.75 g/mol
• Exact Mass: 468.33
• IUPAC Name: (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one
• SMILES: CCC[C@H](C=CC(C)=CC(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](OC)CC(=O)O1)OC
• InChI: InChI=1S/C26H48O5Si/c1-11-12-22(28-9)14-13-21(8)15-25(24-16-23(29-10)17-26(27)30-24)31-32(18(2)3,19(4)5)20(6)7/h13-15,18-20,22-25H,11-12,16-17H2,1-10H3/t22-,23-,24-,25?/m1/s1
• InChIKey: GXQXNQYCKUOIJI-AWYPOSSQSA-N
• XLogP: 6.59
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.75
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one?

The IUPAC name of (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one (CID 90878718) is (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one.

What is the SMILES notation for (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one?

The canonical SMILES for (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one is CCC[C@H](C=CC(C)=CC(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](OC)CC(=O)O1)OC.

What is the InChIKey of (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one?

The InChIKey is GXQXNQYCKUOIJI-AWYPOSSQSA-N. The full InChI is InChI=1S/C26H48O5Si/c1-11-12-22(28-9)14-13-21(8)15-25(24-16-23(29-10)17-26(27)30-24)31-32(18(2)3,19(4)5)20(6)7/h13-15,18-20,22-25H,11-12,16-17H2,1-10H3/t22-,23-,24-,25?/m1/s1.

What are the key properties of (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one?

(4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one has a molecular weight of 468.75 g/mol, XLogP of 6.59, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6R)-4-methoxy-6-[(6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one is sourced from PubChem (CID 90878718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).