methoxymethane;methyl formate

C4H10O3 — CID 87178627

IUPACmethoxymethane;methyl formate
SMILESCOC.COC=O
InChIInChI=1S/C2H4O2.C2H6O/c1-4-2-3;1-3-2/h2H,1H3;1-2H3
InChIKeyYHXQHLAFIKLLCF-UHFFFAOYSA-N
MW106.12 g/mol
LogP0.05
Rot. Bonds1

About methoxymethane;methyl formate

methoxymethane;methyl formate (PubChem CID 87178627) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is methoxymethane;methyl formate.

Molecular Properties

Compound Namemethoxymethane;methyl formate
PubChem CID87178627
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Namemethoxymethane;methyl formate
SMILESCOC.COC=O
InChIInChI=1S/C2H4O2.C2H6O/c1-4-2-3;1-3-2/h2H,1H3;1-2H3
InChIKeyYHXQHLAFIKLLCF-UHFFFAOYSA-N
XLogP0.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl formate?
The IUPAC name of methoxymethane;methyl formate (CID 87178627) is methoxymethane;methyl formate.
What is the SMILES notation for methoxymethane;methyl formate?
The canonical SMILES for methoxymethane;methyl formate is COC.COC=O.
What is the InChIKey of methoxymethane;methyl formate?
The InChIKey is YHXQHLAFIKLLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H6O/c1-4-2-3;1-3-2/h2H,1H3;1-2H3.
What are the key properties of methoxymethane;methyl formate?
methoxymethane;methyl formate has a molecular weight of 106.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl formate is sourced from PubChem (CID 87178627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).