1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene

C40H53F — CID 144658300

About 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene

1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene (PubChem CID 144658300) has the molecular formula C40H53F and a molecular weight of 552.86 g/mol. Its IUPAC name is 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene.

Molecular Properties

• Compound Name: 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
• PubChem CID: 144658300
• Molecular Formula: C40H53F
• Molecular Weight: 552.86 g/mol
• Exact Mass: 552.41
• IUPAC Name: 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
• SMILES: C=CC1CCC(C2CCC(CCC)CC2)CC1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1
• InChI: InChI=1S/C23H23F.C17H30/c1-3-5-18-8-10-19(11-9-18)21-14-15-22(23(24)16-21)20-12-6-17(4-2)7-13-20;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-16H,3-5H2,1-2H3;4,14-17H,2-3,5-13H2,1H3
• InChIKey: IHELJKQGONJZTE-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.86
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene?

The IUPAC name of 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene (CID 144658300) is 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene.

What is the SMILES notation for 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene?

The canonical SMILES for 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene is C=CC1CCC(C2CCC(CCC)CC2)CC1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.

What is the InChIKey of 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene?

The InChIKey is IHELJKQGONJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F.C17H30/c1-3-5-18-8-10-19(11-9-18)21-14-15-22(23(24)16-21)20-12-6-17(4-2)7-13-20;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-16H,3-5H2,1-2H3;4,14-17H,2-3,5-13H2,1H3.

What are the key properties of 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene?

1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene has a molecular weight of 552.86 g/mol, XLogP of 12.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene is sourced from PubChem (CID 144658300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).