(2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate

C8H8O5 — CID 11041390

IUPAC(2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(=O)OC1=O
InChIInChI=1S/C8H8O5/c1-4(2)7(10)12-5-3-6(9)13-8(5)11/h5H,1,3H2,2H3
InChIKeyDUKMCZLIMHAUHZ-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.05
Rot. Bonds2

About (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate

(2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate (PubChem CID 11041390) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate
PubChem CID11041390
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(=O)OC1=O
InChIInChI=1S/C8H8O5/c1-4(2)7(10)12-5-3-6(9)13-8(5)11/h5H,1,3H2,2H3
InChIKeyDUKMCZLIMHAUHZ-UHFFFAOYSA-N
XLogP-0.05
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate 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 (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate (CID 11041390) is (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(=O)OC1=O.
What is the InChIKey of (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate?
The InChIKey is DUKMCZLIMHAUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-4(2)7(10)12-5-3-6(9)13-8(5)11/h5H,1,3H2,2H3.
What are the key properties of (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate?
(2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate has a molecular weight of 184.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxooxolan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 11041390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).