ethane;2-methoxy-2-oxoacetic acid

C5H10O4 — CID 175061457

IUPACethane;2-methoxy-2-oxoacetic acid
SMILESCC.COC(=O)C(=O)O
InChIInChI=1S/C3H4O4.C2H6/c1-7-3(6)2(4)5;1-2/h1H3,(H,4,5);1-2H3
InChIKeyOJSFCOYNQVQSFU-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.27
Rot. Bonds

About ethane;2-methoxy-2-oxoacetic acid

ethane;2-methoxy-2-oxoacetic acid (PubChem CID 175061457) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is ethane;2-methoxy-2-oxoacetic acid.

Molecular Properties

Compound Nameethane;2-methoxy-2-oxoacetic acid
PubChem CID175061457
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Nameethane;2-methoxy-2-oxoacetic acid
SMILESCC.COC(=O)C(=O)O
InChIInChI=1S/C3H4O4.C2H6/c1-7-3(6)2(4)5;1-2/h1H3,(H,4,5);1-2H3
InChIKeyOJSFCOYNQVQSFU-UHFFFAOYSA-N
XLogP0.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-2-oxoacetic acid?
The IUPAC name of ethane;2-methoxy-2-oxoacetic acid (CID 175061457) is ethane;2-methoxy-2-oxoacetic acid.
What is the SMILES notation for ethane;2-methoxy-2-oxoacetic acid?
The canonical SMILES for ethane;2-methoxy-2-oxoacetic acid is CC.COC(=O)C(=O)O.
What is the InChIKey of ethane;2-methoxy-2-oxoacetic acid?
The InChIKey is OJSFCOYNQVQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.C2H6/c1-7-3(6)2(4)5;1-2/h1H3,(H,4,5);1-2H3.
What are the key properties of ethane;2-methoxy-2-oxoacetic acid?
ethane;2-methoxy-2-oxoacetic acid has a molecular weight of 134.13 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-2-oxoacetic acid is sourced from PubChem (CID 175061457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).