2-(2-methyloxiran-2-yl)acetaldehyde

C5H8O2 — CID 14691612

IUPAC2-(2-methyloxiran-2-yl)acetaldehyde
SMILESCC1(CC=O)CO1
InChIInChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h3H,2,4H2,1H3
InChIKeyOPPRAYOAKROOGN-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.36
Rot. Bonds2

About 2-(2-methyloxiran-2-yl)acetaldehyde

2-(2-methyloxiran-2-yl)acetaldehyde (PubChem CID 14691612) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-(2-methyloxiran-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methyloxiran-2-yl)acetaldehyde
PubChem CID14691612
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-(2-methyloxiran-2-yl)acetaldehyde
SMILESCC1(CC=O)CO1
InChIInChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h3H,2,4H2,1H3
InChIKeyOPPRAYOAKROOGN-UHFFFAOYSA-N
XLogP0.36
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2-methyloxiran-2-yl)acetaldehyde?
The IUPAC name of 2-(2-methyloxiran-2-yl)acetaldehyde (CID 14691612) is 2-(2-methyloxiran-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methyloxiran-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-methyloxiran-2-yl)acetaldehyde is CC1(CC=O)CO1.
What is the InChIKey of 2-(2-methyloxiran-2-yl)acetaldehyde?
The InChIKey is OPPRAYOAKROOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h3H,2,4H2,1H3.
What are the key properties of 2-(2-methyloxiran-2-yl)acetaldehyde?
2-(2-methyloxiran-2-yl)acetaldehyde has a molecular weight of 100.12 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxiran-2-yl)acetaldehyde is sourced from PubChem (CID 14691612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).