5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one

C10H16O3 — CID 118482926

IUPAC5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one
SMILESC=CC(=O)CCOC1COC1CC
InChIInChI=1S/C10H16O3/c1-3-8(11)5-6-12-10-7-13-9(10)4-2/h3,9-10H,1,4-7H2,2H3
InChIKeyYNKKLLQCUSOKEH-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.33
Rot. Bonds6

About 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one

5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one (PubChem CID 118482926) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one.

Molecular Properties

Compound Name5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one
PubChem CID118482926
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one
SMILESC=CC(=O)CCOC1COC1CC
InChIInChI=1S/C10H16O3/c1-3-8(11)5-6-12-10-7-13-9(10)4-2/h3,9-10H,1,4-7H2,2H3
InChIKeyYNKKLLQCUSOKEH-UHFFFAOYSA-N
XLogP1.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one 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 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one?
The IUPAC name of 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one (CID 118482926) is 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one.
What is the SMILES notation for 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one?
The canonical SMILES for 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one is C=CC(=O)CCOC1COC1CC.
What is the InChIKey of 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one?
The InChIKey is YNKKLLQCUSOKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-8(11)5-6-12-10-7-13-9(10)4-2/h3,9-10H,1,4-7H2,2H3.
What are the key properties of 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one?
5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyloxetan-3-yl)oxypent-1-en-3-one is sourced from PubChem (CID 118482926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).