4-dec-9-enyloxetan-2-one

C13H22O2 — CID 15467449

IUPAC4-dec-9-enyloxetan-2-one
SMILESC=CCCCCCCCCC1CC(=O)O1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-13(14)15-12/h2,12H,1,3-11H2
InChIKeyNBKQQXXPACKNPH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.61
Rot. Bonds9

About 4-dec-9-enyloxetan-2-one

4-dec-9-enyloxetan-2-one (PubChem CID 15467449) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-dec-9-enyloxetan-2-one.

Molecular Properties

Compound Name4-dec-9-enyloxetan-2-one
PubChem CID15467449
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-dec-9-enyloxetan-2-one
SMILESC=CCCCCCCCCC1CC(=O)O1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-13(14)15-12/h2,12H,1,3-11H2
InChIKeyNBKQQXXPACKNPH-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-dec-9-enyloxetan-2-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 4-dec-9-enyloxetan-2-one?
The IUPAC name of 4-dec-9-enyloxetan-2-one (CID 15467449) is 4-dec-9-enyloxetan-2-one.
What is the SMILES notation for 4-dec-9-enyloxetan-2-one?
The canonical SMILES for 4-dec-9-enyloxetan-2-one is C=CCCCCCCCCC1CC(=O)O1.
What is the InChIKey of 4-dec-9-enyloxetan-2-one?
The InChIKey is NBKQQXXPACKNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-12-11-13(14)15-12/h2,12H,1,3-11H2.
What are the key properties of 4-dec-9-enyloxetan-2-one?
4-dec-9-enyloxetan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dec-9-enyloxetan-2-one is sourced from PubChem (CID 15467449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).