(3-acetyloxyoxolan-2-yl)methyl benzoate

C14H16O5 — CID 142930577

IUPAC(3-acetyloxyoxolan-2-yl)methyl benzoate
SMILESCC(=O)OC1CCOC1COC(=O)c1ccccc1
InChIInChI=1S/C14H16O5/c1-10(15)19-12-7-8-17-13(12)9-18-14(16)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3
InChIKeyMYWLMAKOGXMBQI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.56
Rot. Bonds4

About (3-acetyloxyoxolan-2-yl)methyl benzoate

(3-acetyloxyoxolan-2-yl)methyl benzoate (PubChem CID 142930577) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3-acetyloxyoxolan-2-yl)methyl benzoate.

Molecular Properties

Compound Name(3-acetyloxyoxolan-2-yl)methyl benzoate
PubChem CID142930577
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(3-acetyloxyoxolan-2-yl)methyl benzoate
SMILESCC(=O)OC1CCOC1COC(=O)c1ccccc1
InChIInChI=1S/C14H16O5/c1-10(15)19-12-7-8-17-13(12)9-18-14(16)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3
InChIKeyMYWLMAKOGXMBQI-UHFFFAOYSA-N
XLogP1.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-acetyloxyoxolan-2-yl)methyl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxyoxolan-2-yl)methyl benzoate?
The IUPAC name of (3-acetyloxyoxolan-2-yl)methyl benzoate (CID 142930577) is (3-acetyloxyoxolan-2-yl)methyl benzoate.
What is the SMILES notation for (3-acetyloxyoxolan-2-yl)methyl benzoate?
The canonical SMILES for (3-acetyloxyoxolan-2-yl)methyl benzoate is CC(=O)OC1CCOC1COC(=O)c1ccccc1.
What is the InChIKey of (3-acetyloxyoxolan-2-yl)methyl benzoate?
The InChIKey is MYWLMAKOGXMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-10(15)19-12-7-8-17-13(12)9-18-14(16)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3.
What are the key properties of (3-acetyloxyoxolan-2-yl)methyl benzoate?
(3-acetyloxyoxolan-2-yl)methyl benzoate has a molecular weight of 264.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxyoxolan-2-yl)methyl benzoate is sourced from PubChem (CID 142930577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).