3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride

C14H22ClN3O3Zn — CID 88609851

IUPAC3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride
SMILESCCOC1=CC([N+]#N)C(OCC)(N2CCOCC2)C=C1.[Cl-].[Zn]
InChIInChI=1S/C14H22N3O3.ClH.Zn/c1-3-19-12-5-6-14(20-4-2,13(11-12)16-15)17-7-9-18-10-8-17;;/h5-6,11,13H,3-4,7-10H2,1-2H3;1H;/q+1;;/p-1
InChIKeyKFMCBYFDCORUOM-UHFFFAOYSA-M
MW381.19 g/mol
LogP-1.24
Rot. Bonds5

About 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride

3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride (PubChem CID 88609851) has the molecular formula C14H22ClN3O3Zn and a molecular weight of 381.19 g/mol. Its IUPAC name is 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride.

Molecular Properties

Compound Name3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride
PubChem CID88609851
Molecular FormulaC14H22ClN3O3Zn
Molecular Weight381.19 g/mol
Exact Mass379.06
IUPAC Name3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride
SMILESCCOC1=CC([N+]#N)C(OCC)(N2CCOCC2)C=C1.[Cl-].[Zn]
InChIInChI=1S/C14H22N3O3.ClH.Zn/c1-3-19-12-5-6-14(20-4-2,13(11-12)16-15)17-7-9-18-10-8-17;;/h5-6,11,13H,3-4,7-10H2,1-2H3;1H;/q+1;;/p-1
InChIKeyKFMCBYFDCORUOM-UHFFFAOYSA-M
XLogP-1.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride 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 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride?
The IUPAC name of 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride (CID 88609851) is 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride.
What is the SMILES notation for 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride?
The canonical SMILES for 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride is CCOC1=CC([N+]#N)C(OCC)(N2CCOCC2)C=C1.[Cl-].[Zn].
What is the InChIKey of 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride?
The InChIKey is KFMCBYFDCORUOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22N3O3.ClH.Zn/c1-3-19-12-5-6-14(20-4-2,13(11-12)16-15)17-7-9-18-10-8-17;;/h5-6,11,13H,3-4,7-10H2,1-2H3;1H;/q+1;;/p-1.
What are the key properties of 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride?
3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride has a molecular weight of 381.19 g/mol, XLogP of -1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;zinc;chloride is sourced from PubChem (CID 88609851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).