3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole

C15H23NO — CID 123367070

IUPAC3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole
SMILESCC(C)=CCCC(C)=CCCc1cc(C)on1
InChIInChI=1S/C15H23NO/c1-12(2)7-5-8-13(3)9-6-10-15-11-14(4)17-16-15/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyFNCXKGCQWFWUKA-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.61
Rot. Bonds6

About 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole

3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole (PubChem CID 123367070) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole
PubChem CID123367070
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole
SMILESCC(C)=CCCC(C)=CCCc1cc(C)on1
InChIInChI=1S/C15H23NO/c1-12(2)7-5-8-13(3)9-6-10-15-11-14(4)17-16-15/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyFNCXKGCQWFWUKA-UHFFFAOYSA-N
XLogP4.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole (CID 123367070) is 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole is CC(C)=CCCC(C)=CCCc1cc(C)on1.
What is the InChIKey of 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole?
The InChIKey is FNCXKGCQWFWUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)7-5-8-13(3)9-6-10-15-11-14(4)17-16-15/h7,9,11H,5-6,8,10H2,1-4H3.
What are the key properties of 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole?
3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole has a molecular weight of 233.35 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 123367070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).