3-ethyl-2-methyloxirane-2-carbaldehyde

C6H10O2 — CID 14831302

IUPAC3-ethyl-2-methyloxirane-2-carbaldehyde
SMILESCCC1OC1(C)C=O
InChIInChI=1S/C6H10O2/c1-3-5-6(2,4-7)8-5/h4-5H,3H2,1-2H3
InChIKeyUTAQGWLGKIDJKG-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds2

About 3-ethyl-2-methyloxirane-2-carbaldehyde

3-ethyl-2-methyloxirane-2-carbaldehyde (PubChem CID 14831302) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-ethyl-2-methyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-2-methyloxirane-2-carbaldehyde
PubChem CID14831302
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-ethyl-2-methyloxirane-2-carbaldehyde
SMILESCCC1OC1(C)C=O
InChIInChI=1S/C6H10O2/c1-3-5-6(2,4-7)8-5/h4-5H,3H2,1-2H3
InChIKeyUTAQGWLGKIDJKG-UHFFFAOYSA-N
XLogP0.75
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.75
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'}

Analyze 3-ethyl-2-methyloxirane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyloxirane-2-carbaldehyde?
The IUPAC name of 3-ethyl-2-methyloxirane-2-carbaldehyde (CID 14831302) is 3-ethyl-2-methyloxirane-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-2-methyloxirane-2-carbaldehyde?
The canonical SMILES for 3-ethyl-2-methyloxirane-2-carbaldehyde is CCC1OC1(C)C=O.
What is the InChIKey of 3-ethyl-2-methyloxirane-2-carbaldehyde?
The InChIKey is UTAQGWLGKIDJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-5-6(2,4-7)8-5/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyloxirane-2-carbaldehyde?
3-ethyl-2-methyloxirane-2-carbaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyloxirane-2-carbaldehyde is sourced from PubChem (CID 14831302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).