2-pent-1-en-3-yloxyacetaldehyde

C7H12O2 — CID 90250236

IUPAC2-pent-1-en-3-yloxyacetaldehyde
SMILESC=CC(CC)OCC=O
InChIInChI=1S/C7H12O2/c1-3-7(4-2)9-6-5-8/h3,5,7H,1,4,6H2,2H3
InChIKeyNTIFJMIRTTZHNZ-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.17
Rot. Bonds5

About 2-pent-1-en-3-yloxyacetaldehyde

2-pent-1-en-3-yloxyacetaldehyde (PubChem CID 90250236) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-pent-1-en-3-yloxyacetaldehyde.

Molecular Properties

Compound Name2-pent-1-en-3-yloxyacetaldehyde
PubChem CID90250236
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-pent-1-en-3-yloxyacetaldehyde
SMILESC=CC(CC)OCC=O
InChIInChI=1S/C7H12O2/c1-3-7(4-2)9-6-5-8/h3,5,7H,1,4,6H2,2H3
InChIKeyNTIFJMIRTTZHNZ-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.17
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-pent-1-en-3-yloxyacetaldehyde?
The IUPAC name of 2-pent-1-en-3-yloxyacetaldehyde (CID 90250236) is 2-pent-1-en-3-yloxyacetaldehyde.
What is the SMILES notation for 2-pent-1-en-3-yloxyacetaldehyde?
The canonical SMILES for 2-pent-1-en-3-yloxyacetaldehyde is C=CC(CC)OCC=O.
What is the InChIKey of 2-pent-1-en-3-yloxyacetaldehyde?
The InChIKey is NTIFJMIRTTZHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7(4-2)9-6-5-8/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 2-pent-1-en-3-yloxyacetaldehyde?
2-pent-1-en-3-yloxyacetaldehyde has a molecular weight of 128.17 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-en-3-yloxyacetaldehyde is sourced from PubChem (CID 90250236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).