Selbex

C₂₃H₃₈O — CID 53384398

About Selbex

Selbex (PubChem CID 53384398) has the molecular formula C₂₃H₃₈O and a molecular weight of 330.56 g/mol. Its IUPAC name is (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one.

Molecular Properties

• Compound Name: Selbex
• PubChem CID: 53384398
• Molecular Formula: C₂₃H₃₈O
• Molecular Weight: 330.56 g/mol
• Exact Mass: 330.29
• IUPAC Name: (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one
• SMILES: CC(=O)CCC=C(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17?
• InChIKey: HUCXKZBETONXFO-AJDZVAQLSA-N
• XLogP: 7.50
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	330.56
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Selbex?

The IUPAC name of Selbex (CID 53384398) is (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one.

What is the SMILES notation for Selbex?

The canonical SMILES for Selbex is CC(=O)CCC=C(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.

What is the InChIKey of Selbex?

The InChIKey is HUCXKZBETONXFO-AJDZVAQLSA-N. The full InChI is InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17?.

What are the key properties of Selbex?

Selbex has a molecular weight of 330.56 g/mol, XLogP of 7.50, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Selbex is sourced from PubChem (CID 53384398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 53384398 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2596 — approved-drug record (CC BY-SA 4.0)

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