2-carboxyoxyprop-2-enyl hydrogen carbonate

C5H6O6 — CID 87111396

IUPAC2-carboxyoxyprop-2-enyl hydrogen carbonate
SMILESC=C(COC(=O)O)OC(=O)O
InChIInChI=1S/C5H6O6/c1-3(11-5(8)9)2-10-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKeyVINAHZQCQNCWOR-UHFFFAOYSA-N
MW162.10 g/mol
LogP0.89
Rot. Bonds3

About 2-carboxyoxyprop-2-enyl hydrogen carbonate

2-carboxyoxyprop-2-enyl hydrogen carbonate (PubChem CID 87111396) has the molecular formula C5H6O6 and a molecular weight of 162.10 g/mol. Its IUPAC name is 2-carboxyoxyprop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Name2-carboxyoxyprop-2-enyl hydrogen carbonate
PubChem CID87111396
Molecular FormulaC5H6O6
Molecular Weight162.10 g/mol
Exact Mass162.02
IUPAC Name2-carboxyoxyprop-2-enyl hydrogen carbonate
SMILESC=C(COC(=O)O)OC(=O)O
InChIInChI=1S/C5H6O6/c1-3(11-5(8)9)2-10-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKeyVINAHZQCQNCWOR-UHFFFAOYSA-N
XLogP0.89
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-carboxyoxyprop-2-enyl hydrogen carbonate 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-carboxyoxyprop-2-enyl hydrogen carbonate?
The IUPAC name of 2-carboxyoxyprop-2-enyl hydrogen carbonate (CID 87111396) is 2-carboxyoxyprop-2-enyl hydrogen carbonate.
What is the SMILES notation for 2-carboxyoxyprop-2-enyl hydrogen carbonate?
The canonical SMILES for 2-carboxyoxyprop-2-enyl hydrogen carbonate is C=C(COC(=O)O)OC(=O)O.
What is the InChIKey of 2-carboxyoxyprop-2-enyl hydrogen carbonate?
The InChIKey is VINAHZQCQNCWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O6/c1-3(11-5(8)9)2-10-4(6)7/h1-2H2,(H,6,7)(H,8,9).
What are the key properties of 2-carboxyoxyprop-2-enyl hydrogen carbonate?
2-carboxyoxyprop-2-enyl hydrogen carbonate has a molecular weight of 162.10 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyoxyprop-2-enyl hydrogen carbonate is sourced from PubChem (CID 87111396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).