2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene

C28H37F — CID 22384888

About 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene

2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene (PubChem CID 22384888) has the molecular formula C28H37F and a molecular weight of 392.60 g/mol. Its IUPAC name is 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene.

Molecular Properties

• Compound Name: 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene
• PubChem CID: 22384888
• Molecular Formula: C28H37F
• Molecular Weight: 392.60 g/mol
• Exact Mass: 392.29
• IUPAC Name: 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene
• SMILES: C=CCCc1cc2ccc(C3CCC4CC(CCCC)CCC4C3)cc2cc1F
• InChI: InChI=1S/C28H37F/c1-3-5-7-20-9-10-22-16-23(12-11-21(22)15-20)24-13-14-25-17-26(8-6-4-2)28(29)19-27(25)18-24/h4,13-14,17-23H,2-3,5-12,15-16H2,1H3
• InChIKey: OUELYOPHQWDTEC-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.60
LogP ≤ 5	8.59
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 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene?

The IUPAC name of 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene (CID 22384888) is 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene.

What is the SMILES notation for 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene?

The canonical SMILES for 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene is C=CCCc1cc2ccc(C3CCC4CC(CCCC)CCC4C3)cc2cc1F.

What is the InChIKey of 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene?

The InChIKey is OUELYOPHQWDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F/c1-3-5-7-20-9-10-22-16-23(12-11-21(22)15-20)24-13-14-25-17-26(8-6-4-2)28(29)19-27(25)18-24/h4,13-14,17-23H,2-3,5-12,15-16H2,1H3.

What are the key properties of 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene?

2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene has a molecular weight of 392.60 g/mol, XLogP of 8.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-but-3-enyl-6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluoronaphthalene is sourced from PubChem (CID 22384888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).