2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole

C33H57NO — CID 70478948

IUPAC2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole
SMILESCCCC/C=C/C(CCC)c1nc(C(/C=C/CCCC)CCC)c(C(/C=C/CCCC)CCC)o1
InChIInChI=1S/C33H57NO/c1-7-13-16-19-25-28(22-10-4)31-32(29(23-11-5)26-20-17-14-8-2)35-33(34-31)30(24-12-6)27-21-18-15-9-3/h19-21,25-30H,7-18,22-24H2,1-6H3/b25-19+,26-20+,27-21+
InChIKeyCXGBFJDIGDSSJF-IJIGALCQSA-N
MW483.83 g/mol
LogP11.56
Rot. Bonds21

About 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole

2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole (PubChem CID 70478948) has the molecular formula C33H57NO and a molecular weight of 483.83 g/mol. Its IUPAC name is 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole
PubChem CID70478948
Molecular FormulaC33H57NO
Molecular Weight483.83 g/mol
Exact Mass483.44
IUPAC Name2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole
SMILESCCCC/C=C/C(CCC)c1nc(C(/C=C/CCCC)CCC)c(C(/C=C/CCCC)CCC)o1
InChIInChI=1S/C33H57NO/c1-7-13-16-19-25-28(22-10-4)31-32(29(23-11-5)26-20-17-14-8-2)35-33(34-31)30(24-12-6)27-21-18-15-9-3/h19-21,25-30H,7-18,22-24H2,1-6H3/b25-19+,26-20+,27-21+
InChIKeyCXGBFJDIGDSSJF-IJIGALCQSA-N
XLogP11.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.83
LogP ≤ 511.56
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 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole?
The IUPAC name of 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole (CID 70478948) is 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole.
What is the SMILES notation for 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole?
The canonical SMILES for 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole is CCCC/C=C/C(CCC)c1nc(C(/C=C/CCCC)CCC)c(C(/C=C/CCCC)CCC)o1.
What is the InChIKey of 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole?
The InChIKey is CXGBFJDIGDSSJF-IJIGALCQSA-N. The full InChI is InChI=1S/C33H57NO/c1-7-13-16-19-25-28(22-10-4)31-32(29(23-11-5)26-20-17-14-8-2)35-33(34-31)30(24-12-6)27-21-18-15-9-3/h19-21,25-30H,7-18,22-24H2,1-6H3/b25-19+,26-20+,27-21+.
What are the key properties of 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole?
2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole has a molecular weight of 483.83 g/mol, XLogP of 11.56, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole is sourced from PubChem (CID 70478948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).