methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate

C44H82O6Si3 — CID 134941962

About methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate

methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate (PubChem CID 134941962) has the molecular formula C44H82O6Si3 and a molecular weight of 791.39 g/mol. Its IUPAC name is methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate.

Molecular Properties

• Compound Name: methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate
• PubChem CID: 134941962
• Molecular Formula: C44H82O6Si3
• Molecular Weight: 791.39 g/mol
• Exact Mass: 790.54
• IUPAC Name: methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate
• SMILES: CC[Si](CC)(CC)O[C@H](/C=C/C=C(\C=O)C(=O)OC)[C@@H](C)[C@@H](/C=C/C(C)=C/C/C=C(\C)CCCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C44H82O6Si3/c1-19-52(20-2,21-3)49-41(29-23-28-40(33-45)43(46)47-16)39(12)42(50-53(34(4)5,35(6)7)36(8)9)31-30-38(11)26-22-25-37(10)27-24-32-48-51(17,18)44(13,14)15/h23,25-26,28-31,33-36,39,41-42H,19-22,24,27,32H2,1-18H3/b29-23+,31-30+,37-25+,38-26+,40-28+/t39-,41-,42-/m1/s1
• InChIKey: BHFBECIUORHKLU-ITPIUOFUSA-N
• XLogP: 13.07
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 25
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.39
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate?

The IUPAC name of methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate (CID 134941962) is methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate.

What is the SMILES notation for methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate?

The canonical SMILES for methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate is CC[Si](CC)(CC)O[C@H](/C=C/C=C(\C=O)C(=O)OC)[C@@H](C)[C@@H](/C=C/C(C)=C/C/C=C(\C)CCCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate?

The InChIKey is BHFBECIUORHKLU-ITPIUOFUSA-N. The full InChI is InChI=1S/C44H82O6Si3/c1-19-52(20-2,21-3)49-41(29-23-28-40(33-45)43(46)47-16)39(12)42(50-53(34(4)5,35(6)7)36(8)9)31-30-38(11)26-22-25-37(10)27-24-32-48-51(17,18)44(13,14)15/h23,25-26,28-31,33-36,39,41-42H,19-22,24,27,32H2,1-18H3/b29-23+,31-30+,37-25+,38-26+,40-28+/t39-,41-,42-/m1/s1.

What are the key properties of methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate?

methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate has a molecular weight of 791.39 g/mol, XLogP of 13.07, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2E,4E,6R,7R,8R,9E,11E,14E)-18-[tert-butyl(dimethyl)silyl]oxy-2-formyl-7,11,15-trimethyl-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate is sourced from PubChem (CID 134941962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).