15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride

C20H22ClNO2 — CID 15186196

IUPAC15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride
SMILESCC1(C)C2c3ccccc3C(c3cccc[n+]32)C12OCCCO2.[Cl-]
InChIInChI=1S/C20H22NO2.ClH/c1-19(2)18-15-9-4-3-8-14(15)17(16-10-5-6-11-21(16)18)20(19)22-12-7-13-23-20;/h3-6,8-11,17-18H,7,12-13H2,1-2H3;1H/q+1;/p-1
InChIKeyVDDMCRYWTLHUBP-UHFFFAOYSA-M
MW343.85 g/mol
LogP0.19
Rot. Bonds

About 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride

15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride (PubChem CID 15186196) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride.

Molecular Properties

Compound Name15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride
PubChem CID15186196
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride
SMILESCC1(C)C2c3ccccc3C(c3cccc[n+]32)C12OCCCO2.[Cl-]
InChIInChI=1S/C20H22NO2.ClH/c1-19(2)18-15-9-4-3-8-14(15)17(16-10-5-6-11-21(16)18)20(19)22-12-7-13-23-20;/h3-6,8-11,17-18H,7,12-13H2,1-2H3;1H/q+1;/p-1
InChIKeyVDDMCRYWTLHUBP-UHFFFAOYSA-M
XLogP0.19
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] 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 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride?
The IUPAC name of 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride (CID 15186196) is 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride.
What is the SMILES notation for 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride?
The canonical SMILES for 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride is CC1(C)C2c3ccccc3C(c3cccc[n+]32)C12OCCCO2.[Cl-].
What is the InChIKey of 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride?
The InChIKey is VDDMCRYWTLHUBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22NO2.ClH/c1-19(2)18-15-9-4-3-8-14(15)17(16-10-5-6-11-21(16)18)20(19)22-12-7-13-23-20;/h3-6,8-11,17-18H,7,12-13H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride?
15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride has a molecular weight of 343.85 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15',15'-dimethylspiro[1,3-dioxane-2,16'-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene] chloride is sourced from PubChem (CID 15186196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).