5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene

C24H33FO — CID 139864735

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

5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139864735) has the molecular formula C24H33FO and a molecular weight of 356.53 g/mol. Its IUPAC name is 5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139864735
• Molecular Formula: C24H33FO
• Molecular Weight: 356.53 g/mol
• Exact Mass: 356.25
• IUPAC Name: 5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
• SMILES: C=CCOC1CCC2CC(c3ccc4c(c3F)CCC(C)C4)CCC2C1
• InChI: InChI=1S/C24H33FO/c1-3-12-26-21-9-7-17-14-20(6-5-18(17)15-21)23-11-8-19-13-16(2)4-10-22(19)24(23)25/h3,8,11,16-18,20-21H,1,4-7,9-10,12-15H2,2H3
• InChIKey: GOZGZFNHNPKXGM-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.53
LogP ≤ 5	6.21
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 5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 139864735) is 5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.

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

The canonical SMILES for 5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is C=CCOC1CCC2CC(c3ccc4c(c3F)CCC(C)C4)CCC2C1.

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

The InChIKey is GOZGZFNHNPKXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FO/c1-3-12-26-21-9-7-17-14-20(6-5-18(17)15-21)23-11-8-19-13-16(2)4-10-22(19)24(23)25/h3,8,11,16-18,20-21H,1,4-7,9-10,12-15H2,2H3.

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

5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 356.53 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139864735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).