2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C30H43FO — CID 139870658

About 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139870658) has the molecular formula C30H43FO and a molecular weight of 438.67 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

• Compound Name: 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
• PubChem CID: 139870658
• Molecular Formula: C30H43FO
• Molecular Weight: 438.67 g/mol
• Exact Mass: 438.33
• IUPAC Name: 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
• SMILES: C=CCOc1ccc(C2CCC(C3CCC4CC(CC/C=C/C)CCC4C3)CC2)c(F)c1
• InChI: InChI=1S/C30H43FO/c1-3-5-6-7-22-8-9-27-20-26(15-14-25(27)19-22)23-10-12-24(13-11-23)29-17-16-28(21-30(29)31)32-18-4-2/h3-5,16-17,21-27H,2,6-15,18-20H2,1H3/b5-3+
• InChIKey: OMUOARRPTQVANE-HWKANZROSA-N
• XLogP: 8.85
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.67
LogP ≤ 5	8.85
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 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The IUPAC name of 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139870658) is 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

What is the SMILES notation for 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The canonical SMILES for 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=CCOc1ccc(C2CCC(C3CCC4CC(CC/C=C/C)CCC4C3)CC2)c(F)c1.

What is the InChIKey of 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The InChIKey is OMUOARRPTQVANE-HWKANZROSA-N. The full InChI is InChI=1S/C30H43FO/c1-3-5-6-7-22-8-9-27-20-26(15-14-25(27)19-22)23-10-12-24(13-11-23)29-17-16-28(21-30(29)31)32-18-4-2/h3-5,16-17,21-27H,2,6-15,18-20H2,1H3/b5-3+.

What are the key properties of 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 438.67 g/mol, XLogP of 8.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139870658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).