ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate

C15H16O4 — CID 177477129

IUPACethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate
SMILESC=CC1(C(=O)OCC)CC(=O)OC1c1ccccc1
InChIInChI=1S/C15H16O4/c1-3-15(14(17)18-4-2)10-12(16)19-13(15)11-8-6-5-7-9-11/h3,5-9,13H,1,4,10H2,2H3
InChIKeyRCKNJRNAKFJJPB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.41
Rot. Bonds4

About ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate

ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate (PubChem CID 177477129) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate
PubChem CID177477129
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate
SMILESC=CC1(C(=O)OCC)CC(=O)OC1c1ccccc1
InChIInChI=1S/C15H16O4/c1-3-15(14(17)18-4-2)10-12(16)19-13(15)11-8-6-5-7-9-11/h3,5-9,13H,1,4,10H2,2H3
InChIKeyRCKNJRNAKFJJPB-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate
CID 170387940
ethyl 2,3-diphenyloxirane-2-carboxylate
CID 12916722
ethyl 2-benzoyl-3-phenyloxirane-2-carboxylate
CID 101480933
ethyl 2-oxo-6-phenyl-1-prop-2-enylcyclohex-3-ene-1-carboxylate
CID 57341381
trans-diethyl (2S,3S)-2-methyl-3-phenylcyclopropane-1,1-dicarboxylate
CID 23266686
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 11530420
diethyl 4-oxo-2-phenylcyclohexane-1,1-dicarboxylate
CID 10757908
diethyl (1S,5S)-4-methylidene-10-oxo-1-phenylspiro[4.5]decane-2,2-dicarboxylate
CID 11349630
triethyl 2-chloro-3-phenylcyclopropane-1,1,2-tricarboxylate
CID 12009005
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate?
The IUPAC name of ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate (CID 177477129) is ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate.
What is the SMILES notation for ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate?
The canonical SMILES for ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate is C=CC1(C(=O)OCC)CC(=O)OC1c1ccccc1.
What is the InChIKey of ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate?
The InChIKey is RCKNJRNAKFJJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-3-15(14(17)18-4-2)10-12(16)19-13(15)11-8-6-5-7-9-11/h3,5-9,13H,1,4,10H2,2H3.
What are the key properties of ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate?
ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate is sourced from PubChem (CID 177477129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).