tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate

C23H42O6Si — CID 11328198

About tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate

tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate (PubChem CID 11328198) has the molecular formula C23H42O6Si and a molecular weight of 442.67 g/mol. Its IUPAC name is tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate.

Molecular Properties

• Compound Name: tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate
• PubChem CID: 11328198
• Molecular Formula: C23H42O6Si
• Molecular Weight: 442.67 g/mol
• Exact Mass: 442.28
• IUPAC Name: tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate
• SMILES: CC(=O)OC/C=C(/C)CCC(CC(=O)CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H42O6Si/c1-17(13-14-27-18(2)24)11-12-20(29-30(9,10)23(6,7)8)15-19(25)16-21(26)28-22(3,4)5/h13,20H,11-12,14-16H2,1-10H3/b17-13-
• InChIKey: IIDNUDCLSBGIQA-LGMDPLHJSA-N
• XLogP: 5.36
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.67
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate?

The IUPAC name of tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate (CID 11328198) is tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate.

What is the SMILES notation for tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate?

The canonical SMILES for tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate is CC(=O)OC/C=C(/C)CCC(CC(=O)CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate?

The InChIKey is IIDNUDCLSBGIQA-LGMDPLHJSA-N. The full InChI is InChI=1S/C23H42O6Si/c1-17(13-14-27-18(2)24)11-12-20(29-30(9,10)23(6,7)8)15-19(25)16-21(26)28-22(3,4)5/h13,20H,11-12,14-16H2,1-10H3/b17-13-.

What are the key properties of tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate?

tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate has a molecular weight of 442.67 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate is sourced from PubChem (CID 11328198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).