ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate

C13H14O4 — CID 15310447

IUPACethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate
SMILESCCOC(=O)C1O[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C13H14O4/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-7,11-12H,2,8H2,1H3/t11-,12?/m1/s1
InChIKeyDOGAQAXUDMLDIZ-JHJMLUEUSA-N
MW234.25 g/mol
LogP1.65
Rot. Bonds3

About ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate

ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate (PubChem CID 15310447) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate
PubChem CID15310447
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate
SMILESCCOC(=O)C1O[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C13H14O4/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-7,11-12H,2,8H2,1H3/t11-,12?/m1/s1
InChIKeyDOGAQAXUDMLDIZ-JHJMLUEUSA-N
XLogP1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963
ethyl (2S,5R)-5-methyl-3-oxooxolane-2-carboxylate
CID 15830843
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
trans-diethyl (1S,3S)-4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate
CID 723569
ethyl 2-oxo-4-phenyl-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate
CID 68606018
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662
ethyl (5-phenyl-4,5-dihydro-1,2-oxazol-3-yl) carbonate
CID 23064923
ethyl 2-oxo-3H-1-benzofuran-3-carboxylate
CID 12858903

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate?
The IUPAC name of ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate (CID 15310447) is ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate is CCOC(=O)C1O[C@@H](c2ccccc2)CC1=O.
What is the InChIKey of ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate?
The InChIKey is DOGAQAXUDMLDIZ-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H14O4/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-7,11-12H,2,8H2,1H3/t11-,12?/m1/s1.
What are the key properties of ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate?
ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate is sourced from PubChem (CID 15310447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).