2-carboxyoxyethyl carbonate

C4H5O6- — CID 22376820

IUPAC2-carboxyoxyethyl carbonate
SMILESO=C([O-])OCCOC(=O)O
InChIInChI=1S/C4H6O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-1
InChIKeyZUOSJYIZXTZROD-UHFFFAOYSA-M
MW149.08 g/mol
LogP-0.96
Rot. Bonds3

About 2-carboxyoxyethyl carbonate

2-carboxyoxyethyl carbonate (PubChem CID 22376820) has the molecular formula C4H5O6- and a molecular weight of 149.08 g/mol. Its IUPAC name is 2-carboxyoxyethyl carbonate.

Molecular Properties

Compound Name2-carboxyoxyethyl carbonate
PubChem CID22376820
Molecular FormulaC4H5O6-
Molecular Weight149.08 g/mol
Exact Mass149.01
IUPAC Name2-carboxyoxyethyl carbonate
SMILESO=C([O-])OCCOC(=O)O
InChIInChI=1S/C4H6O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-1
InChIKeyZUOSJYIZXTZROD-UHFFFAOYSA-M
XLogP-0.96
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.08
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Hydroxyethylcarbonic acid
CID 18349963
2-Methoxyethyl hydrogen carbonate
CID 12953232
Ethane-1,2-diyl bis(hydrogen carbonate)
CID 18183683
Triethylene glycol carbonate
CID 19824913
Diethylene glycol carbonate
CID 22237732
(2-Carboxyoxy-1,1-difluoroethyl) hydrogen carbonate
CID 67053530
(2-Carboxyoxy-1,2-difluoroethyl) hydrogen carbonate
CID 87143992
(2-Carboxyoxy-1-fluoroethyl) hydrogen carbonate
CID 87150454
2-(Trifluoromethoxy)ethyl hydrogen carbonate
CID 154468080
1-Carboxyoxypropan-2-yl carbonate
CID 21865428
Magnesium 2-ethoxyethyl hydrogen carbonate
CID 139596426
2-(2-Carboxyoxyethoxy)ethyl hydrogen carbonate
CID 13170400

Frequently Asked Questions

What is the IUPAC name of 2-carboxyoxyethyl carbonate?
The IUPAC name of 2-carboxyoxyethyl carbonate (CID 22376820) is 2-carboxyoxyethyl carbonate.
What is the SMILES notation for 2-carboxyoxyethyl carbonate?
The canonical SMILES for 2-carboxyoxyethyl carbonate is O=C([O-])OCCOC(=O)O.
What is the InChIKey of 2-carboxyoxyethyl carbonate?
The InChIKey is ZUOSJYIZXTZROD-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-1.
What are the key properties of 2-carboxyoxyethyl carbonate?
2-carboxyoxyethyl carbonate has a molecular weight of 149.08 g/mol, XLogP of -0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyoxyethyl carbonate is sourced from PubChem (CID 22376820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).