methoxymethane;oxirane-2-carbaldehyde

C5H10O3 — CID 88638299

IUPACmethoxymethane;oxirane-2-carbaldehyde
SMILESCOC.O=CC1CO1
InChIInChI=1S/C3H4O2.C2H6O/c4-1-3-2-5-3;1-3-2/h1,3H,2H2;1-2H3
InChIKeyQJTYHQFQHYNDGM-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.15
Rot. Bonds1

About methoxymethane;oxirane-2-carbaldehyde

methoxymethane;oxirane-2-carbaldehyde (PubChem CID 88638299) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is methoxymethane;oxirane-2-carbaldehyde.

Molecular Properties

Compound Namemethoxymethane;oxirane-2-carbaldehyde
PubChem CID88638299
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namemethoxymethane;oxirane-2-carbaldehyde
SMILESCOC.O=CC1CO1
InChIInChI=1S/C3H4O2.C2H6O/c4-1-3-2-5-3;1-3-2/h1,3H,2H2;1-2H3
InChIKeyQJTYHQFQHYNDGM-UHFFFAOYSA-N
XLogP-0.15
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;oxirane-2-carbaldehyde?
The IUPAC name of methoxymethane;oxirane-2-carbaldehyde (CID 88638299) is methoxymethane;oxirane-2-carbaldehyde.
What is the SMILES notation for methoxymethane;oxirane-2-carbaldehyde?
The canonical SMILES for methoxymethane;oxirane-2-carbaldehyde is COC.O=CC1CO1.
What is the InChIKey of methoxymethane;oxirane-2-carbaldehyde?
The InChIKey is QJTYHQFQHYNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H6O/c4-1-3-2-5-3;1-3-2/h1,3H,2H2;1-2H3.
What are the key properties of methoxymethane;oxirane-2-carbaldehyde?
methoxymethane;oxirane-2-carbaldehyde has a molecular weight of 118.13 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;oxirane-2-carbaldehyde is sourced from PubChem (CID 88638299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).