benzyl 2-(5-oxooxolan-2-yl)propanoate

C14H16O4 — CID 167309507

IUPACbenzyl 2-(5-oxooxolan-2-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)C1CCC(=O)O1
InChIInChI=1S/C14H16O4/c1-10(12-7-8-13(15)18-12)14(16)17-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyWLJMCDWLJFQVJV-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.07
Rot. Bonds4

About benzyl 2-(5-oxooxolan-2-yl)propanoate

benzyl 2-(5-oxooxolan-2-yl)propanoate (PubChem CID 167309507) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl 2-(5-oxooxolan-2-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(5-oxooxolan-2-yl)propanoate
PubChem CID167309507
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Namebenzyl 2-(5-oxooxolan-2-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)C1CCC(=O)O1
InChIInChI=1S/C14H16O4/c1-10(12-7-8-13(15)18-12)14(16)17-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyWLJMCDWLJFQVJV-UHFFFAOYSA-N
XLogP2.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
(5S)-5-[(1R,2R)-2-methyl-1-phenylmethoxybutyl]oxolan-2-one
CID 11139931
ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate
CID 10086471
(5S)-5-[(1R)-1-iodo-2-phenylmethoxyethyl]oxolan-2-one
CID 11382390
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
benzyl 2-(3-methyloxolan-2-yl)propanoate
CID 166754558
benzyl (2S)-2-[(2S,5R)-5-(3,3,3-trifluoro-2-hydroxypropyl)oxolan-2-yl]propanoate
CID 134838010
tert-butyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
CID 10246340
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl (2S)-2-aminopropanoate
CID 726858
5-phenylmethoxyoxolan-2-one
CID 67674906
benzyl (3R)-3-amino-3-(2,5-dioxocyclopentyl)-2-methylpropanoate
CID 66720485

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5-oxooxolan-2-yl)propanoate?
The IUPAC name of benzyl 2-(5-oxooxolan-2-yl)propanoate (CID 167309507) is benzyl 2-(5-oxooxolan-2-yl)propanoate.
What is the SMILES notation for benzyl 2-(5-oxooxolan-2-yl)propanoate?
The canonical SMILES for benzyl 2-(5-oxooxolan-2-yl)propanoate is CC(C(=O)OCc1ccccc1)C1CCC(=O)O1.
What is the InChIKey of benzyl 2-(5-oxooxolan-2-yl)propanoate?
The InChIKey is WLJMCDWLJFQVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-10(12-7-8-13(15)18-12)14(16)17-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of benzyl 2-(5-oxooxolan-2-yl)propanoate?
benzyl 2-(5-oxooxolan-2-yl)propanoate has a molecular weight of 248.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5-oxooxolan-2-yl)propanoate is sourced from PubChem (CID 167309507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).