2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid

C10H10O8 — CID 18539525

IUPAC2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid
SMILESC=CC(=O)OC(C)(OC(=O)C=C)OC(=O)C(=O)O
InChIInChI=1S/C10H10O8/c1-4-6(11)16-10(3,17-7(12)5-2)18-9(15)8(13)14/h4-5H,1-2H2,3H3,(H,13,14)
InChIKeyFGUPDORUWZQWDG-UHFFFAOYSA-N
MW258.18 g/mol
LogP-0.25
Rot. Bonds5

About 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid

2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid (PubChem CID 18539525) has the molecular formula C10H10O8 and a molecular weight of 258.18 g/mol. Its IUPAC name is 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid
PubChem CID18539525
Molecular FormulaC10H10O8
Molecular Weight258.18 g/mol
Exact Mass258.04
IUPAC Name2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid
SMILESC=CC(=O)OC(C)(OC(=O)C=C)OC(=O)C(=O)O
InChIInChI=1S/C10H10O8/c1-4-6(11)16-10(3,17-7(12)5-2)18-9(15)8(13)14/h4-5H,1-2H2,3H3,(H,13,14)
InChIKeyFGUPDORUWZQWDG-UHFFFAOYSA-N
XLogP-0.25
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid 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-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid?
The IUPAC name of 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid (CID 18539525) is 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid.
What is the SMILES notation for 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid?
The canonical SMILES for 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid is C=CC(=O)OC(C)(OC(=O)C=C)OC(=O)C(=O)O.
What is the InChIKey of 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid?
The InChIKey is FGUPDORUWZQWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O8/c1-4-6(11)16-10(3,17-7(12)5-2)18-9(15)8(13)14/h4-5H,1-2H2,3H3,(H,13,14).
What are the key properties of 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid?
2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid has a molecular weight of 258.18 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-di(prop-2-enoyloxy)ethoxy]-2-oxoacetic acid is sourced from PubChem (CID 18539525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).