(4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C24H38BrNO3 — CID 11851047

About (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11851047) has the molecular formula C24H38BrNO3 and a molecular weight of 468.48 g/mol. Its IUPAC name is (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 11851047
• Molecular Formula: C24H38BrNO3
• Molecular Weight: 468.48 g/mol
• Exact Mass: 467.20
• IUPAC Name: (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: C/C(=C\CBr)CC/C=C(\C)CC/C=C(\C)CCCC(=O)N1C(=O)OC[C@H]1C(C)C
• InChI: InChI=1S/C24H38BrNO3/c1-18(2)22-17-29-24(28)26(22)23(27)14-8-13-20(4)10-6-9-19(3)11-7-12-21(5)15-16-25/h10-11,15,18,22H,6-9,12-14,16-17H2,1-5H3/b19-11+,20-10+,21-15+/t22-/m0/s1
• InChIKey: LGFHLJOHIPAVOP-JVRDZCOLSA-N
• XLogP: 6.95
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.48
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11851047) is (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C/C(=C\CBr)CC/C=C(\C)CC/C=C(\C)CCCC(=O)N1C(=O)OC[C@H]1C(C)C.

What is the InChIKey of (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is LGFHLJOHIPAVOP-JVRDZCOLSA-N. The full InChI is InChI=1S/C24H38BrNO3/c1-18(2)22-17-29-24(28)26(22)23(27)14-8-13-20(4)10-6-9-19(3)11-7-12-21(5)15-16-25/h10-11,15,18,22H,6-9,12-14,16-17H2,1-5H3/b19-11+,20-10+,21-15+/t22-/m0/s1.

What are the key properties of (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 468.48 g/mol, XLogP of 6.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11851047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).