6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene

C33H39FO — CID 139864218

About 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene

6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene (PubChem CID 139864218) has the molecular formula C33H39FO and a molecular weight of 470.67 g/mol. Its IUPAC name is 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene.

Molecular Properties

• Compound Name: 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
• PubChem CID: 139864218
• Molecular Formula: C33H39FO
• Molecular Weight: 470.67 g/mol
• Exact Mass: 470.30
• IUPAC Name: 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
• SMILES: CC=CCOc1ccc2c(F)c(CCc3ccc(C4CCC(/C=C/CCC)CC4)cc3)ccc2c1
• InChI: InChI=1S/C33H39FO/c1-3-5-7-8-25-9-14-27(15-10-25)28-16-11-26(12-17-28)13-18-29-19-20-30-24-31(35-23-6-4-2)21-22-32(30)33(29)34/h4,6-8,11-12,16-17,19-22,24-25,27H,3,5,9-10,13-15,18,23H2,1-2H3/b6-4?,8-7+
• InChIKey: UOZWNDBDNZHTHB-MPDFOIGASA-N
• XLogP: 9.35
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.67
LogP ≤ 5	9.35
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 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?

The IUPAC name of 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene (CID 139864218) is 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene.

What is the SMILES notation for 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?

The canonical SMILES for 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene is CC=CCOc1ccc2c(F)c(CCc3ccc(C4CCC(/C=C/CCC)CC4)cc3)ccc2c1.

What is the InChIKey of 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?

The InChIKey is UOZWNDBDNZHTHB-MPDFOIGASA-N. The full InChI is InChI=1S/C33H39FO/c1-3-5-7-8-25-9-14-27(15-10-25)28-16-11-26(12-17-28)13-18-29-19-20-30-24-31(35-23-6-4-2)21-22-32(30)33(29)34/h4,6-8,11-12,16-17,19-22,24-25,27H,3,5,9-10,13-15,18,23H2,1-2H3/b6-4?,8-7+.

What are the key properties of 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?

6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene has a molecular weight of 470.67 g/mol, XLogP of 9.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene is sourced from PubChem (CID 139864218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).