(13Z,17Z)-1-azidotriaconta-13,17-diene

C30H57N3 — CID 171665931

IUPAC(13Z,17Z)-1-azidotriaconta-13,17-diene
SMILESCCCCCCCCCCCC/C=C\CC/C=C\CCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C30H57N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-31/h13-14,17-18H,2-12,15-16,19-30H2,1H3/b14-13-,18-17-
InChIKeyCHKLBONJEMHXLI-ZHBRIHKXSA-N
MW459.81 g/mol
LogP11.79
Rot. Bonds27

About (13Z,17Z)-1-azidotriaconta-13,17-diene

(13Z,17Z)-1-azidotriaconta-13,17-diene (PubChem CID 171665931) has the molecular formula C30H57N3 and a molecular weight of 459.81 g/mol. Its IUPAC name is (13Z,17Z)-1-azidotriaconta-13,17-diene.

Molecular Properties

Compound Name(13Z,17Z)-1-azidotriaconta-13,17-diene
PubChem CID171665931
Molecular FormulaC30H57N3
Molecular Weight459.81 g/mol
Exact Mass459.46
IUPAC Name(13Z,17Z)-1-azidotriaconta-13,17-diene
SMILESCCCCCCCCCCCC/C=C\CC/C=C\CCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C30H57N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-31/h13-14,17-18H,2-12,15-16,19-30H2,1H3/b14-13-,18-17-
InChIKeyCHKLBONJEMHXLI-ZHBRIHKXSA-N
XLogP11.79
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.81
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (13Z,17Z)-1-azidotriaconta-13,17-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (13Z,17Z)-1-azidotriaconta-13,17-diene?
The IUPAC name of (13Z,17Z)-1-azidotriaconta-13,17-diene (CID 171665931) is (13Z,17Z)-1-azidotriaconta-13,17-diene.
What is the SMILES notation for (13Z,17Z)-1-azidotriaconta-13,17-diene?
The canonical SMILES for (13Z,17Z)-1-azidotriaconta-13,17-diene is CCCCCCCCCCCC/C=C\CC/C=C\CCCCCCCCCCCCN=[N+]=[N-].
What is the InChIKey of (13Z,17Z)-1-azidotriaconta-13,17-diene?
The InChIKey is CHKLBONJEMHXLI-ZHBRIHKXSA-N. The full InChI is InChI=1S/C30H57N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-31/h13-14,17-18H,2-12,15-16,19-30H2,1H3/b14-13-,18-17-.
What are the key properties of (13Z,17Z)-1-azidotriaconta-13,17-diene?
(13Z,17Z)-1-azidotriaconta-13,17-diene has a molecular weight of 459.81 g/mol, XLogP of 11.79, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z,17Z)-1-azidotriaconta-13,17-diene is sourced from PubChem (CID 171665931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).