3-dec-9-enyl-1,2-oxazole

C13H21NO — CID 134984498

IUPAC3-dec-9-enyl-1,2-oxazole
SMILESC=CCCCCCCCCc1ccon1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-15-14-13/h2,11-12H,1,3-10H2
InChIKeyIESMOVHIECFVMA-UHFFFAOYSA-N
MW207.32 g/mol
LogP4.13
Rot. Bonds9

About 3-dec-9-enyl-1,2-oxazole

3-dec-9-enyl-1,2-oxazole (PubChem CID 134984498) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-dec-9-enyl-1,2-oxazole.

Molecular Properties

Compound Name3-dec-9-enyl-1,2-oxazole
PubChem CID134984498
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-dec-9-enyl-1,2-oxazole
SMILESC=CCCCCCCCCc1ccon1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-15-14-13/h2,11-12H,1,3-10H2
InChIKeyIESMOVHIECFVMA-UHFFFAOYSA-N
XLogP4.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dec-9-enyl-1,2-oxazole?
The IUPAC name of 3-dec-9-enyl-1,2-oxazole (CID 134984498) is 3-dec-9-enyl-1,2-oxazole.
What is the SMILES notation for 3-dec-9-enyl-1,2-oxazole?
The canonical SMILES for 3-dec-9-enyl-1,2-oxazole is C=CCCCCCCCCc1ccon1.
What is the InChIKey of 3-dec-9-enyl-1,2-oxazole?
The InChIKey is IESMOVHIECFVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-15-14-13/h2,11-12H,1,3-10H2.
What are the key properties of 3-dec-9-enyl-1,2-oxazole?
3-dec-9-enyl-1,2-oxazole has a molecular weight of 207.32 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dec-9-enyl-1,2-oxazole is sourced from PubChem (CID 134984498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).