methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate

C21H40O4Si — CID 14805432

About methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate

methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate (PubChem CID 14805432) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate.

Molecular Properties

• Compound Name: methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
• PubChem CID: 14805432
• Molecular Formula: C21H40O4Si
• Molecular Weight: 384.63 g/mol
• Exact Mass: 384.27
• IUPAC Name: methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
• SMILES: COC(=O)CC(O)CC/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H40O4Si/c1-17(12-10-14-19(22)15-20(23)24-6)11-9-13-18(2)16-25-26(7,8)21(3,4)5/h12-13,19,22H,9-11,14-16H2,1-8H3/b17-12+,18-13+
• InChIKey: YEUHAQVIVFKGAI-PWDIZTEBSA-N
• XLogP: 5.39
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.63
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate?

The IUPAC name of methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate (CID 14805432) is methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate.

What is the SMILES notation for methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate?

The canonical SMILES for methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate is COC(=O)CC(O)CC/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate?

The InChIKey is YEUHAQVIVFKGAI-PWDIZTEBSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-17(12-10-14-19(22)15-20(23)24-6)11-9-13-18(2)16-25-26(7,8)21(3,4)5/h12-13,19,22H,9-11,14-16H2,1-8H3/b17-12+,18-13+.

What are the key properties of methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate?

methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate has a molecular weight of 384.63 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate is sourced from PubChem (CID 14805432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).