(7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one

C15H16O3 — CID 102298653

IUPAC(7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one
SMILESC=C/C1=C(\C)OCC(c2ccccc2)COC1=O
InChIInChI=1S/C15H16O3/c1-3-14-11(2)17-9-13(10-18-15(14)16)12-7-5-4-6-8-12/h3-8,13H,1,9-10H2,2H3/b14-11-
InChIKeyBATFJWPYBKTXKW-KAMYIIQDSA-N
MW244.29 g/mol
LogP2.80
Rot. Bonds2

About (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one

(7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one (PubChem CID 102298653) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one.

Molecular Properties

Compound Name(7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one
PubChem CID102298653
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one
SMILESC=C/C1=C(\C)OCC(c2ccccc2)COC1=O
InChIInChI=1S/C15H16O3/c1-3-14-11(2)17-9-13(10-18-15(14)16)12-7-5-4-6-8-12/h3-8,13H,1,9-10H2,2H3/b14-11-
InChIKeyBATFJWPYBKTXKW-KAMYIIQDSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-1,3,2-dioxathiane 2,2-dioxide
CID 54003491
2-(4-methylphenyl)-5-phenyl-1,3-dioxane
CID 144692145
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
(3Z,4S)-3-(hydroxymethylidene)-4-phenyloxolan-2-one
CID 6339971
4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile
CID 10752411
(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10420408
(1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione
CID 10625076
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
2-oxo-4-phenyloxolane-3-carbonitrile
CID 12932810
7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
CID 15163004
1,1-dimethyl-3-phenylsiletane
CID 11332797
4-phenyloxathiolane
CID 101444581

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one?
The IUPAC name of (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one (CID 102298653) is (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one.
What is the SMILES notation for (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one?
The canonical SMILES for (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one is C=C/C1=C(\C)OCC(c2ccccc2)COC1=O.
What is the InChIKey of (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one?
The InChIKey is BATFJWPYBKTXKW-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-14-11(2)17-9-13(10-18-15(14)16)12-7-5-4-6-8-12/h3-8,13H,1,9-10H2,2H3/b14-11-.
What are the key properties of (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one?
(7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one is sourced from PubChem (CID 102298653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).