[(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate

C27H50O5Si — CID 134848352

About [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate

[(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate (PubChem CID 134848352) has the molecular formula C27H50O5Si and a molecular weight of 482.78 g/mol. Its IUPAC name is [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate
• PubChem CID: 134848352
• Molecular Formula: C27H50O5Si
• Molecular Weight: 482.78 g/mol
• Exact Mass: 482.34
• IUPAC Name: [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate
• SMILES: C=CC[C@H](C[C@H](CC(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)C(C)=O)OC(=O)C(C)(C)C
• InChI: InChI=1S/C27H50O5Si/c1-13-14-24(32-26(30)27(10,11)12)15-23(22(9)28)16-25(29)21(8)17-31-33(18(2)3,19(4)5)20(6)7/h13,18-21,23-24H,1,14-17H2,2-12H3/t21-,23-,24-/m1/s1
• InChIKey: LVTYIMHXDVUWOF-GMKZXUHWSA-N
• XLogP: 6.90
• TPSA: 69.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.78
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate?

The IUPAC name of [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate (CID 134848352) is [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate?

The canonical SMILES for [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate is C=CC[C@H](C[C@H](CC(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)C(C)=O)OC(=O)C(C)(C)C.

What is the InChIKey of [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate?

The InChIKey is LVTYIMHXDVUWOF-GMKZXUHWSA-N. The full InChI is InChI=1S/C27H50O5Si/c1-13-14-24(32-26(30)27(10,11)12)15-23(22(9)28)16-25(29)21(8)17-31-33(18(2)3,19(4)5)20(6)7/h13,18-21,23-24H,1,14-17H2,2-12H3/t21-,23-,24-/m1/s1.

What are the key properties of [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate?

[(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate has a molecular weight of 482.78 g/mol, XLogP of 6.90, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 134848352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).