hydron;methyl formate

C2H5O2+ — CID 173190969

IUPAChydron;methyl formate
SMILESCOC=O.[H+]
InChIInChI=1S/C2H4O2/c1-4-2-3/h2H,1H3/p+1
InChIKeyTZIHFWKZFHZASV-UHFFFAOYSA-O
MW61.06 g/mol
LogP-0.10
Rot. Bonds1

About hydron;methyl formate

hydron;methyl formate (PubChem CID 173190969) has the molecular formula C2H5O2+ and a molecular weight of 61.06 g/mol. Its IUPAC name is hydron;methyl formate.

Molecular Properties

Compound Namehydron;methyl formate
PubChem CID173190969
Molecular FormulaC2H5O2+
Molecular Weight61.06 g/mol
Exact Mass61.03
IUPAC Namehydron;methyl formate
SMILESCOC=O.[H+]
InChIInChI=1S/C2H4O2/c1-4-2-3/h2H,1H3/p+1
InChIKeyTZIHFWKZFHZASV-UHFFFAOYSA-O
XLogP-0.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.06
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;methyl formate?
The IUPAC name of hydron;methyl formate (CID 173190969) is hydron;methyl formate.
What is the SMILES notation for hydron;methyl formate?
The canonical SMILES for hydron;methyl formate is COC=O.[H+].
What is the InChIKey of hydron;methyl formate?
The InChIKey is TZIHFWKZFHZASV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3/p+1.
What are the key properties of hydron;methyl formate?
hydron;methyl formate has a molecular weight of 61.06 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;methyl formate is sourced from PubChem (CID 173190969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).