carbonic acid;2-ethoxyacetic acid

C5H10O6 — CID 174869478

IUPACcarbonic acid;2-ethoxyacetic acid
SMILESCCOCC(=O)O.O=C(O)O
InChIInChI=1S/C4H8O3.CH2O3/c1-2-7-3-4(5)6;2-1(3)4/h2-3H2,1H3,(H,5,6);(H2,2,3,4)
InChIKeyRAXNCOVRCNRYHE-UHFFFAOYSA-N
MW166.13 g/mol
LogP0.33
Rot. Bonds3

About carbonic acid;2-ethoxyacetic acid

carbonic acid;2-ethoxyacetic acid (PubChem CID 174869478) has the molecular formula C5H10O6 and a molecular weight of 166.13 g/mol. Its IUPAC name is carbonic acid;2-ethoxyacetic acid.

Molecular Properties

Compound Namecarbonic acid;2-ethoxyacetic acid
PubChem CID174869478
Molecular FormulaC5H10O6
Molecular Weight166.13 g/mol
Exact Mass166.05
IUPAC Namecarbonic acid;2-ethoxyacetic acid
SMILESCCOCC(=O)O.O=C(O)O
InChIInChI=1S/C4H8O3.CH2O3/c1-2-7-3-4(5)6;2-1(3)4/h2-3H2,1H3,(H,5,6);(H2,2,3,4)
InChIKeyRAXNCOVRCNRYHE-UHFFFAOYSA-N
XLogP0.33
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-ethoxyacetic acid?
The IUPAC name of carbonic acid;2-ethoxyacetic acid (CID 174869478) is carbonic acid;2-ethoxyacetic acid.
What is the SMILES notation for carbonic acid;2-ethoxyacetic acid?
The canonical SMILES for carbonic acid;2-ethoxyacetic acid is CCOCC(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-ethoxyacetic acid?
The InChIKey is RAXNCOVRCNRYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.CH2O3/c1-2-7-3-4(5)6;2-1(3)4/h2-3H2,1H3,(H,5,6);(H2,2,3,4).
What are the key properties of carbonic acid;2-ethoxyacetic acid?
carbonic acid;2-ethoxyacetic acid has a molecular weight of 166.13 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-ethoxyacetic acid is sourced from PubChem (CID 174869478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).