formyl formate;methane

C4H10O3 — CID 89446166

IUPACformyl formate;methane
SMILESC.C.O=COC=O
InChIInChI=1S/C2H2O3.2CH4/c3-1-5-2-4;;/h1-2H;2*1H4
InChIKeyQNQDBCXCNHNUJW-UHFFFAOYSA-N
MW106.12 g/mol
LogP0.59
Rot. Bonds2

About formyl formate;methane

formyl formate;methane (PubChem CID 89446166) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is formyl formate;methane.

Molecular Properties

Compound Nameformyl formate;methane
PubChem CID89446166
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Nameformyl formate;methane
SMILESC.C.O=COC=O
InChIInChI=1S/C2H2O3.2CH4/c3-1-5-2-4;;/h1-2H;2*1H4
InChIKeyQNQDBCXCNHNUJW-UHFFFAOYSA-N
XLogP0.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;methane?
The IUPAC name of formyl formate;methane (CID 89446166) is formyl formate;methane.
What is the SMILES notation for formyl formate;methane?
The canonical SMILES for formyl formate;methane is C.C.O=COC=O.
What is the InChIKey of formyl formate;methane?
The InChIKey is QNQDBCXCNHNUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O3.2CH4/c3-1-5-2-4;;/h1-2H;2*1H4.
What are the key properties of formyl formate;methane?
formyl formate;methane has a molecular weight of 106.12 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl formate;methane is sourced from PubChem (CID 89446166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).