3-(dihydroxymethoxy)-3-oxopropanoic acid

C4H6O6 — CID 87524206

IUPAC3-(dihydroxymethoxy)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)OC(O)O
InChIInChI=1S/C4H6O6/c5-2(6)1-3(7)10-4(8)9/h4,8-9H,1H2,(H,5,6)
InChIKeyOYQXWAPDBYLSKB-UHFFFAOYSA-N
MW150.09 g/mol
LogP-1.73
Rot. Bonds3

About 3-(dihydroxymethoxy)-3-oxopropanoic acid

3-(dihydroxymethoxy)-3-oxopropanoic acid (PubChem CID 87524206) has the molecular formula C4H6O6 and a molecular weight of 150.09 g/mol. Its IUPAC name is 3-(dihydroxymethoxy)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(dihydroxymethoxy)-3-oxopropanoic acid
PubChem CID87524206
Molecular FormulaC4H6O6
Molecular Weight150.09 g/mol
Exact Mass150.02
IUPAC Name3-(dihydroxymethoxy)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)OC(O)O
InChIInChI=1S/C4H6O6/c5-2(6)1-3(7)10-4(8)9/h4,8-9H,1H2,(H,5,6)
InChIKeyOYQXWAPDBYLSKB-UHFFFAOYSA-N
XLogP-1.73
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopropane;3-oxo-3-propan-2-yloxypropanoic acid
CID 175553635
3-(1-hydroxypentoxy)-3-oxopropanoic acid
CID 88689940
3-(2-carboxyacetyl)peroxy-3-oxopropanoic acid
CID 175368500
3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid
CID 88601705
3-[acetyloxy-(2-carboxyacetyl)oxymethoxy]-3-oxopropanoic acid;butane
CID 88674896
3-(2-hydroxypropoxy)-3-oxopropanoic acid
CID 58952816
ethane;3-methoxy-3-oxopropanoic acid
CID 91567189
CID 170520162
CID 170520162
3-hexan-2-yloxy-3-oxopropanoic acid
CID 87839274
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
3-[(3,5-ditert-butylphenyl)-hydroxymethoxy]-3-oxopropanoic acid
CID 70183398
acetic acid;3-methoxy-3-oxopropanoic acid
CID 162325440

Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxymethoxy)-3-oxopropanoic acid?
The IUPAC name of 3-(dihydroxymethoxy)-3-oxopropanoic acid (CID 87524206) is 3-(dihydroxymethoxy)-3-oxopropanoic acid.
What is the SMILES notation for 3-(dihydroxymethoxy)-3-oxopropanoic acid?
The canonical SMILES for 3-(dihydroxymethoxy)-3-oxopropanoic acid is O=C(O)CC(=O)OC(O)O.
What is the InChIKey of 3-(dihydroxymethoxy)-3-oxopropanoic acid?
The InChIKey is OYQXWAPDBYLSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6/c5-2(6)1-3(7)10-4(8)9/h4,8-9H,1H2,(H,5,6).
What are the key properties of 3-(dihydroxymethoxy)-3-oxopropanoic acid?
3-(dihydroxymethoxy)-3-oxopropanoic acid has a molecular weight of 150.09 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxymethoxy)-3-oxopropanoic acid is sourced from PubChem (CID 87524206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).