2-(oxetan-3-yl)pent-4-enal

C8H12O2 — CID 129283493

IUPAC2-(oxetan-3-yl)pent-4-enal
SMILESC=CCC(C=O)C1COC1
InChIInChI=1S/C8H12O2/c1-2-3-7(4-9)8-5-10-6-8/h2,4,7-8H,1,3,5-6H2
InChIKeyKRQUOWAGJSWADL-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.02
Rot. Bonds4

About 2-(oxetan-3-yl)pent-4-enal

2-(oxetan-3-yl)pent-4-enal (PubChem CID 129283493) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(oxetan-3-yl)pent-4-enal.

Molecular Properties

Compound Name2-(oxetan-3-yl)pent-4-enal
PubChem CID129283493
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(oxetan-3-yl)pent-4-enal
SMILESC=CCC(C=O)C1COC1
InChIInChI=1S/C8H12O2/c1-2-3-7(4-9)8-5-10-6-8/h2,4,7-8H,1,3,5-6H2
InChIKeyKRQUOWAGJSWADL-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.02
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-(oxetan-3-yl)pent-4-enal?
The IUPAC name of 2-(oxetan-3-yl)pent-4-enal (CID 129283493) is 2-(oxetan-3-yl)pent-4-enal.
What is the SMILES notation for 2-(oxetan-3-yl)pent-4-enal?
The canonical SMILES for 2-(oxetan-3-yl)pent-4-enal is C=CCC(C=O)C1COC1.
What is the InChIKey of 2-(oxetan-3-yl)pent-4-enal?
The InChIKey is KRQUOWAGJSWADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-7(4-9)8-5-10-6-8/h2,4,7-8H,1,3,5-6H2.
What are the key properties of 2-(oxetan-3-yl)pent-4-enal?
2-(oxetan-3-yl)pent-4-enal has a molecular weight of 140.18 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)pent-4-enal is sourced from PubChem (CID 129283493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).