[2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate

C9H12O5 — CID 15150149

IUPAC[2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)C1(C)CCC(=O)O1
InChIInChI=1S/C9H12O5/c1-6(10)13-5-7(11)9(2)4-3-8(12)14-9/h3-5H2,1-2H3
InChIKeyHZFJZBMXASVFRS-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.21
Rot. Bonds3

About [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate

[2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate (PubChem CID 15150149) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate
PubChem CID15150149
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name[2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)C1(C)CCC(=O)O1
InChIInChI=1S/C9H12O5/c1-6(10)13-5-7(11)9(2)4-3-8(12)14-9/h3-5H2,1-2H3
InChIKeyHZFJZBMXASVFRS-UHFFFAOYSA-N
XLogP0.21
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate (CID 15150149) is [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate is CC(=O)OCC(=O)C1(C)CCC(=O)O1.
What is the InChIKey of [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate?
The InChIKey is HZFJZBMXASVFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-6(10)13-5-7(11)9(2)4-3-8(12)14-9/h3-5H2,1-2H3.
What are the key properties of [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate?
[2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate has a molecular weight of 200.19 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate is sourced from PubChem (CID 15150149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).