2-but-3-en-2-yloxyacetaldehyde

C6H10O2 — CID 91014192

IUPAC2-but-3-en-2-yloxyacetaldehyde
SMILESC=CC(C)OCC=O
InChIInChI=1S/C6H10O2/c1-3-6(2)8-5-4-7/h3-4,6H,1,5H2,2H3
InChIKeyJYQMZLXNJBHHBU-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.78
Rot. Bonds4

About 2-but-3-en-2-yloxyacetaldehyde

2-but-3-en-2-yloxyacetaldehyde (PubChem CID 91014192) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-but-3-en-2-yloxyacetaldehyde.

Molecular Properties

Compound Name2-but-3-en-2-yloxyacetaldehyde
PubChem CID91014192
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-but-3-en-2-yloxyacetaldehyde
SMILESC=CC(C)OCC=O
InChIInChI=1S/C6H10O2/c1-3-6(2)8-5-4-7/h3-4,6H,1,5H2,2H3
InChIKeyJYQMZLXNJBHHBU-UHFFFAOYSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yloxyacetaldehyde?
The IUPAC name of 2-but-3-en-2-yloxyacetaldehyde (CID 91014192) is 2-but-3-en-2-yloxyacetaldehyde.
What is the SMILES notation for 2-but-3-en-2-yloxyacetaldehyde?
The canonical SMILES for 2-but-3-en-2-yloxyacetaldehyde is C=CC(C)OCC=O.
What is the InChIKey of 2-but-3-en-2-yloxyacetaldehyde?
The InChIKey is JYQMZLXNJBHHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-6(2)8-5-4-7/h3-4,6H,1,5H2,2H3.
What are the key properties of 2-but-3-en-2-yloxyacetaldehyde?
2-but-3-en-2-yloxyacetaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxyacetaldehyde is sourced from PubChem (CID 91014192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).