2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid

C20H36O4Si — CID 88524635

About 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid

2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 88524635) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

• Compound Name: 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
• PubChem CID: 88524635
• Molecular Formula: C20H36O4Si
• Molecular Weight: 368.59 g/mol
• Exact Mass: 368.24
• IUPAC Name: 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
• SMILES: CC(=O)C(CC=C(C)CCC=C(C)CO[Si](C)(C)C(C)(C)C)C(=O)O
• InChI: InChI=1S/C20H36O4Si/c1-15(12-13-18(17(3)21)19(22)23)10-9-11-16(2)14-24-25(7,8)20(4,5)6/h11-12,18H,9-10,13-14H2,1-8H3,(H,22,23)
• InChIKey: ICEPRWCHXXRMKB-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 63.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.59
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid?

The IUPAC name of 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid (CID 88524635) is 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid.

What is the SMILES notation for 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid?

The canonical SMILES for 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid is CC(=O)C(CC=C(C)CCC=C(C)CO[Si](C)(C)C(C)(C)C)C(=O)O.

What is the InChIKey of 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid?

The InChIKey is ICEPRWCHXXRMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-15(12-13-18(17(3)21)19(22)23)10-9-11-16(2)14-24-25(7,8)20(4,5)6/h11-12,18H,9-10,13-14H2,1-8H3,(H,22,23).

What are the key properties of 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid?

2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 368.59 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 88524635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).