1,1-dimethoxyethane;formic acid

C5H12O4 — CID 174931321

IUPAC1,1-dimethoxyethane;formic acid
SMILESCOC(C)OC.O=CO
InChIInChI=1S/C4H10O2.CH2O2/c1-4(5-2)6-3;2-1-3/h4H,1-3H3;1H,(H,2,3)
InChIKeyWWPMQNXTYOFKBD-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.33
Rot. Bonds2

About 1,1-dimethoxyethane;formic acid

1,1-dimethoxyethane;formic acid (PubChem CID 174931321) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,1-dimethoxyethane;formic acid.

Molecular Properties

Compound Name1,1-dimethoxyethane;formic acid
PubChem CID174931321
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Name1,1-dimethoxyethane;formic acid
SMILESCOC(C)OC.O=CO
InChIInChI=1S/C4H10O2.CH2O2/c1-4(5-2)6-3;2-1-3/h4H,1-3H3;1H,(H,2,3)
InChIKeyWWPMQNXTYOFKBD-UHFFFAOYSA-N
XLogP0.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxyethyl formate
CID 21596795
Ethanolformate
CID 19915320
Propanediol diformate
CID 90964252
1-Carboxyoxyethyl methyl carbonate
CID 17889143
Carbonic acid;1,1-dimethoxyethane
CID 17956840
Carboxyoxymethyl ethyl carbonate
CID 18509248
Ethanol;ethyl formate
CID 19366237
1-Ethoxyethyl hydrogen carbonate
CID 20208886
1-Hydroxypropyl formate
CID 20261932
Dimethoxymethanol;oxaldehyde
CID 20367090
Ethyl formate;formic acid
CID 20529944
1-Methoxypropyl hydrogen carbonate
CID 21071316

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;formic acid?
The IUPAC name of 1,1-dimethoxyethane;formic acid (CID 174931321) is 1,1-dimethoxyethane;formic acid.
What is the SMILES notation for 1,1-dimethoxyethane;formic acid?
The canonical SMILES for 1,1-dimethoxyethane;formic acid is COC(C)OC.O=CO.
What is the InChIKey of 1,1-dimethoxyethane;formic acid?
The InChIKey is WWPMQNXTYOFKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.CH2O2/c1-4(5-2)6-3;2-1-3/h4H,1-3H3;1H,(H,2,3).
What are the key properties of 1,1-dimethoxyethane;formic acid?
1,1-dimethoxyethane;formic acid has a molecular weight of 136.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;formic acid is sourced from PubChem (CID 174931321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).