formyl formate

C6H6O9 — CID 90024423

IUPACformyl formate
SMILESO=COC=O.O=COC=O.O=COC=O
InChIInChI=1S/3C2H2O3/c3*3-1-5-2-4/h3*1-2H
InChIKeyHHLGOVQWTFOHDC-UHFFFAOYSA-N
MW222.11 g/mol
LogP-2.05
Rot. Bonds6

About formyl formate

formyl formate (PubChem CID 90024423) has the molecular formula C6H6O9 and a molecular weight of 222.11 g/mol. Its IUPAC name is formyl formate.

Molecular Properties

Compound Nameformyl formate
PubChem CID90024423
Molecular FormulaC6H6O9
Molecular Weight222.11 g/mol
Exact Mass222.00
IUPAC Nameformyl formate
SMILESO=COC=O.O=COC=O.O=COC=O
InChIInChI=1S/3C2H2O3/c3*3-1-5-2-4/h3*1-2H
InChIKeyHHLGOVQWTFOHDC-UHFFFAOYSA-N
XLogP-2.05
TPSA130.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 90024423) is formyl formate.
What is the SMILES notation for formyl formate?
The canonical SMILES for formyl formate is O=COC=O.O=COC=O.O=COC=O.
What is the InChIKey of formyl formate?
The InChIKey is HHLGOVQWTFOHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H2O3/c3*3-1-5-2-4/h3*1-2H.
What are the key properties of formyl formate?
formyl formate has a molecular weight of 222.11 g/mol, XLogP of -2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formyl formate is sourced from PubChem (CID 90024423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).