methoxymethylideneoxidanium;methyl formate

C8H17O8+ — CID 159982331

IUPACmethoxymethylideneoxidanium;methyl formate
SMILESCOC=O.COC=O.COC=O.[H]/[O+]=C/OC
InChIInChI=1S/4C2H4O2/c4*1-4-2-3/h4*2H,1H3/p+1
InChIKeyOFXSNRFSNYXENC-UHFFFAOYSA-O
MW241.22 g/mol
LogP-0.87
Rot. Bonds4

About methoxymethylideneoxidanium;methyl formate

methoxymethylideneoxidanium;methyl formate (PubChem CID 159982331) has the molecular formula C8H17O8+ and a molecular weight of 241.22 g/mol. Its IUPAC name is methoxymethylideneoxidanium;methyl formate.

Molecular Properties

Compound Namemethoxymethylideneoxidanium;methyl formate
PubChem CID159982331
Molecular FormulaC8H17O8+
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Namemethoxymethylideneoxidanium;methyl formate
SMILESCOC=O.COC=O.COC=O.[H]/[O+]=C/OC
InChIInChI=1S/4C2H4O2/c4*1-4-2-3/h4*2H,1H3/p+1
InChIKeyOFXSNRFSNYXENC-UHFFFAOYSA-O
XLogP-0.87
TPSA109.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethylideneoxidanium;methyl formate?
The IUPAC name of methoxymethylideneoxidanium;methyl formate (CID 159982331) is methoxymethylideneoxidanium;methyl formate.
What is the SMILES notation for methoxymethylideneoxidanium;methyl formate?
The canonical SMILES for methoxymethylideneoxidanium;methyl formate is COC=O.COC=O.COC=O.[H]/[O+]=C/OC.
What is the InChIKey of methoxymethylideneoxidanium;methyl formate?
The InChIKey is OFXSNRFSNYXENC-UHFFFAOYSA-O. The full InChI is InChI=1S/4C2H4O2/c4*1-4-2-3/h4*2H,1H3/p+1.
What are the key properties of methoxymethylideneoxidanium;methyl formate?
methoxymethylideneoxidanium;methyl formate has a molecular weight of 241.22 g/mol, XLogP of -0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylideneoxidanium;methyl formate is sourced from PubChem (CID 159982331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).