6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

C25H35FO — CID 139865466

About 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865466) has the molecular formula C25H35FO and a molecular weight of 370.55 g/mol. Its IUPAC name is 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139865466
• Molecular Formula: C25H35FO
• Molecular Weight: 370.55 g/mol
• Exact Mass: 370.27
• IUPAC Name: 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
• SMILES: C/C=C/COC1CCC2CC(c3cc(F)c4c(c3)CCC(C)C4)CCC2C1
• InChI: InChI=1S/C25H35FO/c1-3-4-11-27-23-10-9-18-13-19(7-8-20(18)15-23)22-14-21-6-5-17(2)12-24(21)25(26)16-22/h3-4,14,16-20,23H,5-13,15H2,1-2H3/b4-3+
• InChIKey: NSPYFLHMOUAARX-ONEGZZNKSA-N
• XLogP: 6.60
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.55
LogP ≤ 5	6.60
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-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 139865466) is 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is C/C=C/COC1CCC2CC(c3cc(F)c4c(c3)CCC(C)C4)CCC2C1.

What is the InChIKey of 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?

The InChIKey is NSPYFLHMOUAARX-ONEGZZNKSA-N. The full InChI is InChI=1S/C25H35FO/c1-3-4-11-27-23-10-9-18-13-19(7-8-20(18)15-23)22-14-21-6-5-17(2)12-24(21)25(26)16-22/h3-4,14,16-20,23H,5-13,15H2,1-2H3/b4-3+.

What are the key properties of 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?

6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 370.55 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).