(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal

C30H50O5Si — CID 134970330

About (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal

(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal (PubChem CID 134970330) has the molecular formula C30H50O5Si and a molecular weight of 518.81 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal.

Molecular Properties

• Compound Name: (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
• PubChem CID: 134970330
• Molecular Formula: C30H50O5Si
• Molecular Weight: 518.81 g/mol
• Exact Mass: 518.34
• IUPAC Name: (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
• SMILES: COCCOCO[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=O
• InChI: InChI=1S/C30H50O5Si/c1-26(21-19-17-15-13-11-10-12-14-16-18-20-22-31)29(35-36(8,9)30(4,5)6)27(2)28(3)34-25-33-24-23-32-7/h10-22,26-29H,23-25H2,1-9H3/b12-10+,13-11+,16-14+,17-15+,20-18+,21-19+/t26-,27-,28-,29+/m0/s1
• InChIKey: NHFWBFXNCSGVFF-LBRPAXHISA-N
• XLogP: 7.21
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.81
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?

The IUPAC name of (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal (CID 134970330) is (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal.

What is the SMILES notation for (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?

The canonical SMILES for (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal is COCCOCO[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=O.

What is the InChIKey of (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?

The InChIKey is NHFWBFXNCSGVFF-LBRPAXHISA-N. The full InChI is InChI=1S/C30H50O5Si/c1-26(21-19-17-15-13-11-10-12-14-16-18-20-22-31)29(35-36(8,9)30(4,5)6)27(2)28(3)34-25-33-24-23-32-7/h10-22,26-29H,23-25H2,1-9H3/b12-10+,13-11+,16-14+,17-15+,20-18+,21-19+/t26-,27-,28-,29+/m0/s1.

What are the key properties of (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?

(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal has a molecular weight of 518.81 g/mol, XLogP of 7.21, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-(2-methoxyethoxymethoxy)-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal is sourced from PubChem (CID 134970330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).