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

C7H10O4 — CID 11469210

IUPACmethyl 2-(2-oxooxolan-3-yl)acetate
SMILESCOC(=O)CC1CCOC1=O
InChIInChI=1S/C7H10O4/c1-10-6(8)4-5-2-3-11-7(5)9/h5H,2-4H2,1H3
InChIKeyULOWAAFIHMAPLX-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.11
Rot. Bonds2

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

methyl 2-(2-oxooxolan-3-yl)acetate (PubChem CID 11469210) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is methyl 2-(2-oxooxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxooxolan-3-yl)acetate
PubChem CID11469210
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Namemethyl 2-(2-oxooxolan-3-yl)acetate
SMILESCOC(=O)CC1CCOC1=O
InChIInChI=1S/C7H10O4/c1-10-6(8)4-5-2-3-11-7(5)9/h5H,2-4H2,1H3
InChIKeyULOWAAFIHMAPLX-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-oxooxolan-3-yl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

4-Ethyloxolan-2-one
CID 27893
Trimethyl 1,2,3-propanetricarboxylate
CID 581486
2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
Tripropyl propane-1,2,3-tricarboxylate
CID 220124
1,2,3-Triethyl 1,2,3-propanetricarboxylate
CID 221055
(S)-3-Ethyl-gamma-butyrolactone
CID 57939696
2-(Oxolan-3-yl)acetic acid
CID 4244905
2-((3R)-oxolan-3-yl)acetic acid
CID 14962792
(S)-2-(Tetrahydrofuran-3-YL)acetic acid
CID 14962793
Ethyl 2-(2-oxooxolan-3-yl)acetate
CID 281855
3-(2-(Acetyloxy)ethyl)dihydro-2(3H)-furanone
CID 11008384
Methyl 2-(2,5-dioxooxolan-3-yl)acetate
CID 3319749

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxooxolan-3-yl)acetate?
The IUPAC name of methyl 2-(2-oxooxolan-3-yl)acetate (CID 11469210) is methyl 2-(2-oxooxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxooxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(2-oxooxolan-3-yl)acetate is COC(=O)CC1CCOC1=O.
What is the InChIKey of methyl 2-(2-oxooxolan-3-yl)acetate?
The InChIKey is ULOWAAFIHMAPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-10-6(8)4-5-2-3-11-7(5)9/h5H,2-4H2,1H3.
What are the key properties of methyl 2-(2-oxooxolan-3-yl)acetate?
methyl 2-(2-oxooxolan-3-yl)acetate has a molecular weight of 158.15 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxooxolan-3-yl)acetate is sourced from PubChem (CID 11469210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).