methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate

C21H36O3Si — CID 135046761

About methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate

methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate (PubChem CID 135046761) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate.

Molecular Properties

• Compound Name: methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate
• PubChem CID: 135046761
• Molecular Formula: C21H36O3Si
• Molecular Weight: 364.60 g/mol
• Exact Mass: 364.24
• IUPAC Name: methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate
• SMILES: COC(=O)/C=C(/CC/C=C(\C)CCC=C1CC1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H36O3Si/c1-17(10-8-12-18-14-15-18)11-9-13-19(16-20(22)23-5)24-25(6,7)21(2,3)4/h11-12,16H,8-10,13-15H2,1-7H3/b17-11+,19-16-
• InChIKey: ZLODLVXUWKISTI-IIIOKWFNSA-N
• XLogP: 6.29
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.60
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate?

The IUPAC name of methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate (CID 135046761) is methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate.

What is the SMILES notation for methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate?

The canonical SMILES for methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate is COC(=O)/C=C(/CC/C=C(\C)CCC=C1CC1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate?

The InChIKey is ZLODLVXUWKISTI-IIIOKWFNSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-17(10-8-12-18-14-15-18)11-9-13-19(16-20(22)23-5)24-25(6,7)21(2,3)4/h11-12,16H,8-10,13-15H2,1-7H3/b17-11+,19-16-.

What are the key properties of methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate?

methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate has a molecular weight of 364.60 g/mol, XLogP of 6.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate is sourced from PubChem (CID 135046761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).