[(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate

C7H10O4 — CID 11355638

IUPAC[(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)O[C@@H]1C
InChIInChI=1S/C7H10O4/c1-4-6(11-5(2)8)3-7(9)10-4/h4,6H,3H2,1-2H3/t4-,6+/m1/s1
InChIKeyOGMPQWZFTCYKRX-XINAWCOVSA-N
MW158.15 g/mol
LogP0.25
Rot. Bonds1

About [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate

[(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate (PubChem CID 11355638) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate
PubChem CID11355638
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name[(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)O[C@@H]1C
InChIInChI=1S/C7H10O4/c1-4-6(11-5(2)8)3-7(9)10-4/h4,6H,3H2,1-2H3/t4-,6+/m1/s1
InChIKeyOGMPQWZFTCYKRX-XINAWCOVSA-N
XLogP0.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate?
The IUPAC name of [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate (CID 11355638) is [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate is CC(=O)O[C@H]1CC(=O)O[C@@H]1C.
What is the InChIKey of [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate?
The InChIKey is OGMPQWZFTCYKRX-XINAWCOVSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-6(11-5(2)8)3-7(9)10-4/h4,6H,3H2,1-2H3/t4-,6+/m1/s1.
What are the key properties of [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate?
[(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate has a molecular weight of 158.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate is sourced from PubChem (CID 11355638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).