(1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride

C19H32ClNO2 — CID 69029376

IUPAC(1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride
SMILESCCOC(=CC(CC(C)C)[N+](C)(C)CC)Oc1ccccc1.[Cl-]
InChIInChI=1S/C19H32NO2.ClH/c1-7-20(5,6)17(14-16(3)4)15-19(21-8-2)22-18-12-10-9-11-13-18;/h9-13,15-17H,7-8,14H2,1-6H3;1H/q+1;/p-1
InChIKeyOTGJJPBEMIRHGC-UHFFFAOYSA-M
MW341.92 g/mol
LogP1.46
Rot. Bonds9

About (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride

(1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride (PubChem CID 69029376) has the molecular formula C19H32ClNO2 and a molecular weight of 341.92 g/mol. Its IUPAC name is (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name(1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride
PubChem CID69029376
Molecular FormulaC19H32ClNO2
Molecular Weight341.92 g/mol
Exact Mass341.21
IUPAC Name(1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride
SMILESCCOC(=CC(CC(C)C)[N+](C)(C)CC)Oc1ccccc1.[Cl-]
InChIInChI=1S/C19H32NO2.ClH/c1-7-20(5,6)17(14-16(3)4)15-19(21-8-2)22-18-12-10-9-11-13-18;/h9-13,15-17H,7-8,14H2,1-6H3;1H/q+1;/p-1
InChIKeyOTGJJPBEMIRHGC-UHFFFAOYSA-M
XLogP1.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.92
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium 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 (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride?
The IUPAC name of (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride (CID 69029376) is (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride.
What is the SMILES notation for (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride?
The canonical SMILES for (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride is CCOC(=CC(CC(C)C)[N+](C)(C)CC)Oc1ccccc1.[Cl-].
What is the InChIKey of (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride?
The InChIKey is OTGJJPBEMIRHGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H32NO2.ClH/c1-7-20(5,6)17(14-16(3)4)15-19(21-8-2)22-18-12-10-9-11-13-18;/h9-13,15-17H,7-8,14H2,1-6H3;1H/q+1;/p-1.
What are the key properties of (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride?
(1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride has a molecular weight of 341.92 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-5-methyl-1-phenoxyhex-1-en-3-yl)-ethyl-dimethylazanium chloride is sourced from PubChem (CID 69029376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).