(6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one

C43H66N4O — CID 87642594

About (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one

(6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one (PubChem CID 87642594) has the molecular formula C43H66N4O and a molecular weight of 655.03 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one.

Molecular Properties

• Compound Name: (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one
• PubChem CID: 87642594
• Molecular Formula: C43H66N4O
• Molecular Weight: 655.03 g/mol
• Exact Mass: 654.52
• IUPAC Name: (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(C=[N+]=[N-])C(=O)C(C=[N+]=[N-])CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
• InChI: InChI=1S/C43H66N4O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(39-46-44)43(48)42(40-47-45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,39-42H,3-10,15-16,21-22,27-28,33-38H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
• InChIKey: JREYWUASRGQECC-XCHUKFSYSA-N
• XLogP: 12.68
• TPSA: 89.87 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 32
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.03
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one?

The IUPAC name of (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one (CID 87642594) is (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one.

What is the SMILES notation for (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one?

The canonical SMILES for (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(C=[N+]=[N-])C(=O)C(C=[N+]=[N-])CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.

What is the InChIKey of (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one?

The InChIKey is JREYWUASRGQECC-XCHUKFSYSA-N. The full InChI is InChI=1S/C43H66N4O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(39-46-44)43(48)42(40-47-45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,39-42H,3-10,15-16,21-22,27-28,33-38H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-.

What are the key properties of (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one?

(6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one has a molecular weight of 655.03 g/mol, XLogP of 12.68, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,9Z,12Z,15Z,26Z,29Z,32Z,35Z)-20,22-bis(diazomethyl)hentetraconta-6,9,12,15,26,29,32,35-octaen-21-one is sourced from PubChem (CID 87642594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).