formyl formate

C4H4O6 — CID 90024424

IUPACformyl formate
SMILESO=COC=O.O=COC=O
InChIInChI=1S/2C2H2O3/c2*3-1-5-2-4/h2*1-2H
InChIKeyXGQSPBXMYFWCJR-UHFFFAOYSA-N
MW148.07 g/mol
LogP-1.37
Rot. Bonds4

About formyl formate

formyl formate (PubChem CID 90024424) has the molecular formula C4H4O6 and a molecular weight of 148.07 g/mol. Its IUPAC name is formyl formate.

Molecular Properties

Compound Nameformyl formate
PubChem CID90024424
Molecular FormulaC4H4O6
Molecular Weight148.07 g/mol
Exact Mass148.00
IUPAC Nameformyl formate
SMILESO=COC=O.O=COC=O
InChIInChI=1S/2C2H2O3/c2*3-1-5-2-4/h2*1-2H
InChIKeyXGQSPBXMYFWCJR-UHFFFAOYSA-N
XLogP-1.37
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.07
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formyl formate?
The IUPAC name of formyl formate (CID 90024424) is formyl formate.
What is the SMILES notation for formyl formate?
The canonical SMILES for formyl formate is O=COC=O.O=COC=O.
What is the InChIKey of formyl formate?
The InChIKey is XGQSPBXMYFWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2O3/c2*3-1-5-2-4/h2*1-2H.
What are the key properties of formyl formate?
formyl formate has a molecular weight of 148.07 g/mol, XLogP of -1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formyl formate is sourced from PubChem (CID 90024424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).