formic acid;methanol;methyl formate

C4H10O5 — CID 89264044

IUPACformic acid;methanol;methyl formate
SMILESCO.COC=O.O=CO
InChIInChI=1S/C2H4O2.CH2O2.CH4O/c1-4-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);2H,1H3
InChIKeyDUYURUCZYKXZSP-UHFFFAOYSA-N
MW138.12 g/mol
LogP-0.90
Rot. Bonds1

About formic acid;methanol;methyl formate

formic acid;methanol;methyl formate (PubChem CID 89264044) has the molecular formula C4H10O5 and a molecular weight of 138.12 g/mol. Its IUPAC name is formic acid;methanol;methyl formate.

Molecular Properties

Compound Nameformic acid;methanol;methyl formate
PubChem CID89264044
Molecular FormulaC4H10O5
Molecular Weight138.12 g/mol
Exact Mass138.05
IUPAC Nameformic acid;methanol;methyl formate
SMILESCO.COC=O.O=CO
InChIInChI=1S/C2H4O2.CH2O2.CH4O/c1-4-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);2H,1H3
InChIKeyDUYURUCZYKXZSP-UHFFFAOYSA-N
XLogP-0.90
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;methanol;methyl formate?
The IUPAC name of formic acid;methanol;methyl formate (CID 89264044) is formic acid;methanol;methyl formate.
What is the SMILES notation for formic acid;methanol;methyl formate?
The canonical SMILES for formic acid;methanol;methyl formate is CO.COC=O.O=CO.
What is the InChIKey of formic acid;methanol;methyl formate?
The InChIKey is DUYURUCZYKXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH2O2.CH4O/c1-4-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);2H,1H3.
What are the key properties of formic acid;methanol;methyl formate?
formic acid;methanol;methyl formate has a molecular weight of 138.12 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methanol;methyl formate is sourced from PubChem (CID 89264044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).