ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate

C23H42O4Si — CID 11133370

About ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate

ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate (PubChem CID 11133370) has the molecular formula C23H42O4Si and a molecular weight of 410.67 g/mol. Its IUPAC name is ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate.

Molecular Properties

• Compound Name: ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate
• PubChem CID: 11133370
• Molecular Formula: C23H42O4Si
• Molecular Weight: 410.67 g/mol
• Exact Mass: 410.29
• IUPAC Name: ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate
• SMILES: C=C(/C=C(\C)[C@H](CC)OCOCC[Si](C)(C)C)C[C@H](C)/C=C(\C)C(=O)OCC
• InChI: InChI=1S/C23H42O4Si/c1-10-22(27-17-25-12-13-28(7,8)9)20(5)15-18(3)14-19(4)16-21(6)23(24)26-11-2/h15-16,19,22H,3,10-14,17H2,1-2,4-9H3/b20-15+,21-16+/t19-,22-/m0/s1
• InChIKey: WLIBUUCVRCYYMD-ZASSVJRUSA-N
• XLogP: 6.13
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.67
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate?

The IUPAC name of ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate (CID 11133370) is ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate.

What is the SMILES notation for ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate?

The canonical SMILES for ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate is C=C(/C=C(\C)[C@H](CC)OCOCC[Si](C)(C)C)C[C@H](C)/C=C(\C)C(=O)OCC.

What is the InChIKey of ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate?

The InChIKey is WLIBUUCVRCYYMD-ZASSVJRUSA-N. The full InChI is InChI=1S/C23H42O4Si/c1-10-22(27-17-25-12-13-28(7,8)9)20(5)15-18(3)14-19(4)16-21(6)23(24)26-11-2/h15-16,19,22H,3,10-14,17H2,1-2,4-9H3/b20-15+,21-16+/t19-,22-/m0/s1.

What are the key properties of ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate?

ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate has a molecular weight of 410.67 g/mol, XLogP of 6.13, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)undeca-2,7-dienoate is sourced from PubChem (CID 11133370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).