(10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide

C70H123NO3 — CID 164501551

About (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide

(10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide (PubChem CID 164501551) has the molecular formula C70H123NO3 and a molecular weight of 1026.76 g/mol. Its IUPAC name is (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide.

Molecular Properties

• Compound Name: (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide
• PubChem CID: 164501551
• Molecular Formula: C70H123NO3
• Molecular Weight: 1026.76 g/mol
• Exact Mass: 1025.95
• IUPAC Name: (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C70H123NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-69(73)68(67-72)71-70(74)66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,36,38,42,44,48,50,63,65,68-69,72-73H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-41,43,45-47,49,51-62,64,66-67H2,1-2H3,(H,71,74)/b8-6-,14-12-,20-18-,26-24-,32-30-,38-36-,44-42-,50-48-,65-63+
• InChIKey: ZIJKIVZKXREQPP-JCYSCWNZSA-N
• XLogP: 21.81
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 58
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1026.76
LogP ≤ 5	21.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide?

The IUPAC name of (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide (CID 164501551) is (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide.

What is the SMILES notation for (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide?

The canonical SMILES for (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide?

The InChIKey is ZIJKIVZKXREQPP-JCYSCWNZSA-N. The full InChI is InChI=1S/C70H123NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-69(73)68(67-72)71-70(74)66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,36,38,42,44,48,50,63,65,68-69,72-73H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-41,43,45-47,49,51-62,64,66-67H2,1-2H3,(H,71,74)/b8-6-,14-12-,20-18-,26-24-,32-30-,38-36-,44-42-,50-48-,65-63+.

What are the key properties of (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide?

(10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide has a molecular weight of 1026.76 g/mol, XLogP of 21.81, 58 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-N-[(E)-1,3-dihydroxyhexatriacont-4-en-2-yl]tetratriaconta-10,13,16,19,22,25,28,31-octaenamide is sourced from PubChem (CID 164501551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).