1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C43H72N2O6Si2 — CID 140674046

About 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (PubChem CID 140674046) has the molecular formula C43H72N2O6Si2 and a molecular weight of 769.23 g/mol. Its IUPAC name is 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate.

Molecular Properties

• Compound Name: 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
• PubChem CID: 140674046
• Molecular Formula: C43H72N2O6Si2
• Molecular Weight: 769.23 g/mol
• Exact Mass: 768.49
• IUPAC Name: 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(C)OC(=O)NCc1c(CO[Si](C)(C)C(C)(C)C)cnc(C)c1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C43H72N2O6Si2/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-39(46)49-36(3)50-41(47)45-33-38-37(34-48-52(10,11)42(4,5)6)32-44-35(2)40(38)51-53(12,13)43(7,8)9/h15-16,18-19,21-22,24-25,27-28,32,36H,14,17,20,23,26,29-31,33-34H2,1-13H3,(H,45,47)/b16-15-,19-18-,22-21-,25-24-,28-27-
• InChIKey: KLWDREXNIFKIFS-QFCBEFGXSA-N
• XLogP: 12.33
• TPSA: 95.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.23
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?

The IUPAC name of 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (CID 140674046) is 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate.

What is the SMILES notation for 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?

The canonical SMILES for 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(C)OC(=O)NCc1c(CO[Si](C)(C)C(C)(C)C)cnc(C)c1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?

The InChIKey is KLWDREXNIFKIFS-QFCBEFGXSA-N. The full InChI is InChI=1S/C43H72N2O6Si2/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-39(46)49-36(3)50-41(47)45-33-38-37(34-48-52(10,11)42(4,5)6)32-44-35(2)40(38)51-53(12,13)43(7,8)9/h15-16,18-19,21-22,24-25,27-28,32,36H,14,17,20,23,26,29-31,33-34H2,1-13H3,(H,45,47)/b16-15-,19-18-,22-21-,25-24-,28-27-.

What are the key properties of 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?

1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate has a molecular weight of 769.23 g/mol, XLogP of 12.33, 22 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-pyridinyl]methylcarbamoyloxy]ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate is sourced from PubChem (CID 140674046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).