(6Z,15Z)-11-isocyanohenicosa-6,15-diene

C22H39N — CID 123442851

IUPAC(6Z,15Z)-11-isocyanohenicosa-6,15-diene
SMILES[C-]#[N+]C(CCC/C=C\CCCCC)CCC/C=C\CCCCC
InChIInChI=1S/C22H39N/c1-4-6-8-10-12-14-16-18-20-22(23-3)21-19-17-15-13-11-9-7-5-2/h12-15,22H,4-11,16-21H2,1-2H3/b14-12-,15-13-
InChIKeyDABZBBANSRCAOW-DZDAAMPGSA-N
MW317.56 g/mol
LogP7.89
Rot. Bonds16

About (6Z,15Z)-11-isocyanohenicosa-6,15-diene

(6Z,15Z)-11-isocyanohenicosa-6,15-diene (PubChem CID 123442851) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is (6Z,15Z)-11-isocyanohenicosa-6,15-diene.

Molecular Properties

Compound Name(6Z,15Z)-11-isocyanohenicosa-6,15-diene
PubChem CID123442851
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name(6Z,15Z)-11-isocyanohenicosa-6,15-diene
SMILES[C-]#[N+]C(CCC/C=C\CCCCC)CCC/C=C\CCCCC
InChIInChI=1S/C22H39N/c1-4-6-8-10-12-14-16-18-20-22(23-3)21-19-17-15-13-11-9-7-5-2/h12-15,22H,4-11,16-21H2,1-2H3/b14-12-,15-13-
InChIKeyDABZBBANSRCAOW-DZDAAMPGSA-N
XLogP7.89
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6Z,15Z)-11-isocyanohenicosa-6,15-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 (6Z,15Z)-11-isocyanohenicosa-6,15-diene?
The IUPAC name of (6Z,15Z)-11-isocyanohenicosa-6,15-diene (CID 123442851) is (6Z,15Z)-11-isocyanohenicosa-6,15-diene.
What is the SMILES notation for (6Z,15Z)-11-isocyanohenicosa-6,15-diene?
The canonical SMILES for (6Z,15Z)-11-isocyanohenicosa-6,15-diene is [C-]#[N+]C(CCC/C=C\CCCCC)CCC/C=C\CCCCC.
What is the InChIKey of (6Z,15Z)-11-isocyanohenicosa-6,15-diene?
The InChIKey is DABZBBANSRCAOW-DZDAAMPGSA-N. The full InChI is InChI=1S/C22H39N/c1-4-6-8-10-12-14-16-18-20-22(23-3)21-19-17-15-13-11-9-7-5-2/h12-15,22H,4-11,16-21H2,1-2H3/b14-12-,15-13-.
What are the key properties of (6Z,15Z)-11-isocyanohenicosa-6,15-diene?
(6Z,15Z)-11-isocyanohenicosa-6,15-diene has a molecular weight of 317.56 g/mol, XLogP of 7.89, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,15Z)-11-isocyanohenicosa-6,15-diene is sourced from PubChem (CID 123442851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).