5-(oxetan-3-yloxy)pent-1-en-3-one

C8H12O3 — CID 118482960

IUPAC5-(oxetan-3-yloxy)pent-1-en-3-one
SMILESC=CC(=O)CCOC1COC1
InChIInChI=1S/C8H12O3/c1-2-7(9)3-4-11-8-5-10-6-8/h2,8H,1,3-6H2
InChIKeyOXRGKHRCLBXSLP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.55
Rot. Bonds5

About 5-(oxetan-3-yloxy)pent-1-en-3-one

5-(oxetan-3-yloxy)pent-1-en-3-one (PubChem CID 118482960) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-(oxetan-3-yloxy)pent-1-en-3-one.

Molecular Properties

Compound Name5-(oxetan-3-yloxy)pent-1-en-3-one
PubChem CID118482960
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-(oxetan-3-yloxy)pent-1-en-3-one
SMILESC=CC(=O)CCOC1COC1
InChIInChI=1S/C8H12O3/c1-2-7(9)3-4-11-8-5-10-6-8/h2,8H,1,3-6H2
InChIKeyOXRGKHRCLBXSLP-UHFFFAOYSA-N
XLogP0.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yloxy)pent-1-en-3-one?
The IUPAC name of 5-(oxetan-3-yloxy)pent-1-en-3-one (CID 118482960) is 5-(oxetan-3-yloxy)pent-1-en-3-one.
What is the SMILES notation for 5-(oxetan-3-yloxy)pent-1-en-3-one?
The canonical SMILES for 5-(oxetan-3-yloxy)pent-1-en-3-one is C=CC(=O)CCOC1COC1.
What is the InChIKey of 5-(oxetan-3-yloxy)pent-1-en-3-one?
The InChIKey is OXRGKHRCLBXSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-7(9)3-4-11-8-5-10-6-8/h2,8H,1,3-6H2.
What are the key properties of 5-(oxetan-3-yloxy)pent-1-en-3-one?
5-(oxetan-3-yloxy)pent-1-en-3-one has a molecular weight of 156.18 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yloxy)pent-1-en-3-one is sourced from PubChem (CID 118482960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).