methoxymethane;oxaldehyde

C4H8O3 — CID 18366365

IUPACmethoxymethane;oxaldehyde
SMILESCOC.O=CC=O
InChIInChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-3-2/h1-2H;1-2H3
InChIKeyRGVOQDNBLMLICJ-UHFFFAOYSA-N
MW104.10 g/mol
LogP-0.35
Rot. Bonds1

About methoxymethane;oxaldehyde

methoxymethane;oxaldehyde (PubChem CID 18366365) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is methoxymethane;oxaldehyde.

Molecular Properties

Compound Namemethoxymethane;oxaldehyde
PubChem CID18366365
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Namemethoxymethane;oxaldehyde
SMILESCOC.O=CC=O
InChIInChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-3-2/h1-2H;1-2H3
InChIKeyRGVOQDNBLMLICJ-UHFFFAOYSA-N
XLogP-0.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl formate acetaldehyde
CID 18988947
Glyoxal propion-aldehyde
CID 19694734
Acetaldehyde propionaldehyde
CID 22450779
Glyoxal Acetaldehyd
CID 22497392
Formaldehyde acetaldehyde propionaldehyde
CID 88704216
Ethanal dihydrate
CID 132280979
Acetaldehyde;hydrate
CID 18177585
CID 18185839
CID 18185839
Formaldehyde ether
CID 18356795
CID 18974562
CID 18974562
Acetaldehyde;mercury(2+)
CID 19378216
Formaldehyde;propanal
CID 20486028

Frequently Asked Questions

What is the IUPAC name of methoxymethane;oxaldehyde?
The IUPAC name of methoxymethane;oxaldehyde (CID 18366365) is methoxymethane;oxaldehyde.
What is the SMILES notation for methoxymethane;oxaldehyde?
The canonical SMILES for methoxymethane;oxaldehyde is COC.O=CC=O.
What is the InChIKey of methoxymethane;oxaldehyde?
The InChIKey is RGVOQDNBLMLICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-3-2/h1-2H;1-2H3.
What are the key properties of methoxymethane;oxaldehyde?
methoxymethane;oxaldehyde has a molecular weight of 104.10 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;oxaldehyde is sourced from PubChem (CID 18366365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).