benzyl 2-(2-oxooxolan-3-yl)acetate

C13H14O4 — CID 91271905

IUPACbenzyl 2-(2-oxooxolan-3-yl)acetate
SMILESO=C(CC1CCOC1=O)OCc1ccccc1
InChIInChI=1S/C13H14O4/c14-12(8-11-6-7-16-13(11)15)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyCSPUXDDDMACRSH-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.68
Rot. Bonds4

About benzyl 2-(2-oxooxolan-3-yl)acetate

benzyl 2-(2-oxooxolan-3-yl)acetate (PubChem CID 91271905) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is benzyl 2-(2-oxooxolan-3-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(2-oxooxolan-3-yl)acetate
PubChem CID91271905
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Namebenzyl 2-(2-oxooxolan-3-yl)acetate
SMILESO=C(CC1CCOC1=O)OCc1ccccc1
InChIInChI=1S/C13H14O4/c14-12(8-11-6-7-16-13(11)15)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyCSPUXDDDMACRSH-UHFFFAOYSA-N
XLogP1.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(2-oxocyclobutyl)acetate
CID 58062904
benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride
CID 70023874
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959
benzyl 2-[(2S)-3,6-dioxo-1,4-dioxan-2-yl]acetate
CID 66727129
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
benzyl 2-oxooxetane-3-carboxylate
CID 102128365
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-oxo-1,3-dioxane-4-carboxylate
CID 140663600
3-(3-phenylmethoxypropanoyl)oxolan-2-one
CID 14808515
benzyl 2-[3-(dibenzylamino)-2-oxocyclobutyl]acetate
CID 23213418

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-oxooxolan-3-yl)acetate?
The IUPAC name of benzyl 2-(2-oxooxolan-3-yl)acetate (CID 91271905) is benzyl 2-(2-oxooxolan-3-yl)acetate.
What is the SMILES notation for benzyl 2-(2-oxooxolan-3-yl)acetate?
The canonical SMILES for benzyl 2-(2-oxooxolan-3-yl)acetate is O=C(CC1CCOC1=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-oxooxolan-3-yl)acetate?
The InChIKey is CSPUXDDDMACRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c14-12(8-11-6-7-16-13(11)15)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of benzyl 2-(2-oxooxolan-3-yl)acetate?
benzyl 2-(2-oxooxolan-3-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-oxooxolan-3-yl)acetate is sourced from PubChem (CID 91271905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).