1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene

C30H41F — CID 70229042

About 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene

1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (PubChem CID 70229042) has the molecular formula C30H41F and a molecular weight of 420.66 g/mol. Its IUPAC name is 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.

Molecular Properties

• Compound Name: 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
• PubChem CID: 70229042
• Molecular Formula: C30H41F
• Molecular Weight: 420.66 g/mol
• Exact Mass: 420.32
• IUPAC Name: 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
• SMILES: CC=CCCc1cc(F)c2cc(C3CCC4CC(CCCCC)CCC4C3)ccc2c1
• InChI: InChI=1S/C30H41F/c1-3-5-7-9-22-11-12-25-20-26(14-13-24(25)17-22)27-15-16-28-18-23(10-8-6-4-2)19-30(31)29(28)21-27/h4,6,15-16,18-19,21-22,24-26H,3,5,7-14,17,20H2,1-2H3
• InChIKey: QUAZWOJPHMUGHR-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.66
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

The IUPAC name of 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (CID 70229042) is 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.

What is the SMILES notation for 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

The canonical SMILES for 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is CC=CCCc1cc(F)c2cc(C3CCC4CC(CCCCC)CCC4C3)ccc2c1.

What is the InChIKey of 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

The InChIKey is QUAZWOJPHMUGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F/c1-3-5-7-9-22-11-12-25-20-26(14-13-24(25)17-22)27-15-16-28-18-23(10-8-6-4-2)19-30(31)29(28)21-27/h4,6,15-16,18-19,21-22,24-26H,3,5,7-14,17,20H2,1-2H3.

What are the key properties of 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene has a molecular weight of 420.66 g/mol, XLogP of 9.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is sourced from PubChem (CID 70229042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).