(5-oxooxolan-3-yl) benzoate

C11H10O4 — CID 85106877

IUPAC(5-oxooxolan-3-yl) benzoate
SMILESO=C1CC(OC(=O)c2ccccc2)CO1
InChIInChI=1S/C11H10O4/c12-10-6-9(7-14-10)15-11(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyVLDYBOFCEJPWOJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.16
Rot. Bonds2

About (5-oxooxolan-3-yl) benzoate

(5-oxooxolan-3-yl) benzoate (PubChem CID 85106877) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is (5-oxooxolan-3-yl) benzoate.

Molecular Properties

Compound Name(5-oxooxolan-3-yl) benzoate
PubChem CID85106877
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name(5-oxooxolan-3-yl) benzoate
SMILESO=C1CC(OC(=O)c2ccccc2)CO1
InChIInChI=1S/C11H10O4/c12-10-6-9(7-14-10)15-11(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyVLDYBOFCEJPWOJ-UHFFFAOYSA-N
XLogP1.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-5-phenyloxolan-3-yl] benzoate
CID 101478527
(2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate
CID 10801175
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
(4-oxocycloheptyl) benzoate
CID 24971560
CID 87858468
CID 87858468
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 70003334
[(3S,3aR,6R,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 90257226
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
(4-methoxycyclohexyl) benzoate
CID 101493670
[(3S,5R,6R)-5,6-dibenzoyloxyoxan-3-yl] benzoate
CID 15870520
1,5-dithiocan-3-yl benzoate
CID 20737187
[(1S,3S)-3-hydroxycyclopentyl] benzoate
CID 177453571

Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-3-yl) benzoate?
The IUPAC name of (5-oxooxolan-3-yl) benzoate (CID 85106877) is (5-oxooxolan-3-yl) benzoate.
What is the SMILES notation for (5-oxooxolan-3-yl) benzoate?
The canonical SMILES for (5-oxooxolan-3-yl) benzoate is O=C1CC(OC(=O)c2ccccc2)CO1.
What is the InChIKey of (5-oxooxolan-3-yl) benzoate?
The InChIKey is VLDYBOFCEJPWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-10-6-9(7-14-10)15-11(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of (5-oxooxolan-3-yl) benzoate?
(5-oxooxolan-3-yl) benzoate has a molecular weight of 206.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-3-yl) benzoate is sourced from PubChem (CID 85106877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).