6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one

C16H18O4 — CID 10978671

IUPAC6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=COC(CC1=CC(=O)OC(C)(C)O1)c1ccccc1
InChIInChI=1S/C16H18O4/c1-4-18-14(12-8-6-5-7-9-12)10-13-11-15(17)20-16(2,3)19-13/h4-9,11,14H,1,10H2,2-3H3
InChIKeyHXOZWBVNXDIEMS-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.47
Rot. Bonds5

About 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one

6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 10978671) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID10978671
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=COC(CC1=CC(=O)OC(C)(C)O1)c1ccccc1
InChIInChI=1S/C16H18O4/c1-4-18-14(12-8-6-5-7-9-12)10-13-11-15(17)20-16(2,3)19-13/h4-9,11,14H,1,10H2,2-3H3
InChIKeyHXOZWBVNXDIEMS-UHFFFAOYSA-N
XLogP3.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one 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 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one (CID 10978671) is 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one is C=COC(CC1=CC(=O)OC(C)(C)O1)c1ccccc1.
What is the InChIKey of 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is HXOZWBVNXDIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-4-18-14(12-8-6-5-7-9-12)10-13-11-15(17)20-16(2,3)19-13/h4-9,11,14H,1,10H2,2-3H3.
What are the key properties of 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 274.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10978671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).