2-carboxyoxyethyl hydrogen carbonate

C4H6O6 — CID 18183683

IUPAC2-carboxyoxyethyl hydrogen 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)
InChIKeyZUOSJYIZXTZROD-UHFFFAOYSA-N
MW150.09 g/mol
LogP0.38
Rot. Bonds3

About 2-carboxyoxyethyl hydrogen carbonate

2-carboxyoxyethyl hydrogen carbonate (PubChem CID 18183683) has the molecular formula C4H6O6 and a molecular weight of 150.09 g/mol. Its IUPAC name is 2-carboxyoxyethyl hydrogen carbonate.

Molecular Properties

Compound Name2-carboxyoxyethyl hydrogen carbonate
PubChem CID18183683
Molecular FormulaC4H6O6
Molecular Weight150.09 g/mol
Exact Mass150.02
IUPAC Name2-carboxyoxyethyl hydrogen 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)
InChIKeyZUOSJYIZXTZROD-UHFFFAOYSA-N
XLogP0.38
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
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
2-Carboxyoxyethyl carbonate
CID 22376820
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 hydrogen carbonate?
The IUPAC name of 2-carboxyoxyethyl hydrogen carbonate (CID 18183683) is 2-carboxyoxyethyl hydrogen carbonate.
What is the SMILES notation for 2-carboxyoxyethyl hydrogen carbonate?
The canonical SMILES for 2-carboxyoxyethyl hydrogen carbonate is O=C(O)OCCOC(=O)O.
What is the InChIKey of 2-carboxyoxyethyl hydrogen carbonate?
The InChIKey is ZUOSJYIZXTZROD-UHFFFAOYSA-N. 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).
What are the key properties of 2-carboxyoxyethyl hydrogen carbonate?
2-carboxyoxyethyl hydrogen carbonate has a molecular weight of 150.09 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyoxyethyl hydrogen carbonate is sourced from PubChem (CID 18183683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).