5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

C13H14N2O5 — CID 71331861

IUPAC5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(/N=N/C2C(=O)OC(C)(C)OC2=O)cc1
InChIInChI=1S/C13H14N2O5/c1-13(2)19-11(16)10(12(17)20-13)15-14-8-4-6-9(18-3)7-5-8/h4-7,10H,1-3H3/b15-14+
InChIKeySDCNFYVYKHUWCV-CCEZHUSRSA-N
MW278.26 g/mol
LogP1.98
Rot. Bonds3

About 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 71331861) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID71331861
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(/N=N/C2C(=O)OC(C)(C)OC2=O)cc1
InChIInChI=1S/C13H14N2O5/c1-13(2)19-11(16)10(12(17)20-13)15-14-8-4-6-9(18-3)7-5-8/h4-7,10H,1-3H3/b15-14+
InChIKeySDCNFYVYKHUWCV-CCEZHUSRSA-N
XLogP1.98
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione 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 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 71331861) is 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is COc1ccc(/N=N/C2C(=O)OC(C)(C)OC2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is SDCNFYVYKHUWCV-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-13(2)19-11(16)10(12(17)20-13)15-14-8-4-6-9(18-3)7-5-8/h4-7,10H,1-3H3/b15-14+.
What are the key properties of 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 278.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 71331861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).