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'}

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Related Compounds

6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 6710162
4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-phenylbutanal
CID 14559544
2,2-dimethyl-6-[(2S)-2-methylbut-3-enyl]-1,3-dioxin-4-one
CID 134966591
6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 15062403
2,2-dimethyl-6-pent-4-enyl-1,3-dioxin-4-one
CID 102264383
6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 102218337
6-[(2R,3S)-2-hydroxy-3-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11402205
6-[(2S)-2-hydroxy-4-oxohex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 24864800
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134931361
2,2-dimethyl-6-[(2R)-1-phenylbutan-2-yl]-1,3-dioxin-4-one
CID 11780245
6-[(2S,4S)-2-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11655773

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).