carboxy hydrogen carbonate;ethanol

C4H8O6 — CID 175149724

IUPACcarboxy hydrogen carbonate;ethanol
SMILESCCO.O=C(O)OC(=O)O
InChIInChI=1S/C2H2O5.C2H6O/c3-1(4)7-2(5)6;1-2-3/h(H,3,4)(H,5,6);3H,2H2,1H3
InChIKeyVOWMCTKQXQOTIJ-UHFFFAOYSA-N
MW152.10 g/mol
LogP0.36
Rot. Bonds

About carboxy hydrogen carbonate;ethanol

carboxy hydrogen carbonate;ethanol (PubChem CID 175149724) has the molecular formula C4H8O6 and a molecular weight of 152.10 g/mol. Its IUPAC name is carboxy hydrogen carbonate;ethanol.

Molecular Properties

Compound Namecarboxy hydrogen carbonate;ethanol
PubChem CID175149724
Molecular FormulaC4H8O6
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Namecarboxy hydrogen carbonate;ethanol
SMILESCCO.O=C(O)OC(=O)O
InChIInChI=1S/C2H2O5.C2H6O/c3-1(4)7-2(5)6;1-2-3/h(H,3,4)(H,5,6);3H,2H2,1H3
InChIKeyVOWMCTKQXQOTIJ-UHFFFAOYSA-N
XLogP0.36
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carboxy hydrogen carbonate;hydrochloride
CID 141485807
carboxy hydrogen carbonate;dichloromethane
CID 88783649
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
ethanol;oxalic acid
CID 172820699
azane;carbonic acid;ethanol
CID 173096974
disodium;carboxy propanoate;hydride
CID 174329569
ethanol;ruthenium
CID 150841781
ethanol;niobium
CID 58943010
ethanol;ruthenium
CID 157358792
magnesium;ethanol;carbonate
CID 159993357
carboxy hydrogen carbonate;4-ethylhex-2-yne-1,4-diol
CID 175355111
carboxy hydrogen carbonate;3-methylpent-1-ene
CID 175053878

Frequently Asked Questions

What is the IUPAC name of carboxy hydrogen carbonate;ethanol?
The IUPAC name of carboxy hydrogen carbonate;ethanol (CID 175149724) is carboxy hydrogen carbonate;ethanol.
What is the SMILES notation for carboxy hydrogen carbonate;ethanol?
The canonical SMILES for carboxy hydrogen carbonate;ethanol is CCO.O=C(O)OC(=O)O.
What is the InChIKey of carboxy hydrogen carbonate;ethanol?
The InChIKey is VOWMCTKQXQOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O5.C2H6O/c3-1(4)7-2(5)6;1-2-3/h(H,3,4)(H,5,6);3H,2H2,1H3.
What are the key properties of carboxy hydrogen carbonate;ethanol?
carboxy hydrogen carbonate;ethanol has a molecular weight of 152.10 g/mol, XLogP of 0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy hydrogen carbonate;ethanol is sourced from PubChem (CID 175149724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).