(6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene

C28H35F3O — CID 143772556

About (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene

(6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene (PubChem CID 143772556) has the molecular formula C28H35F3O and a molecular weight of 444.58 g/mol. Its IUPAC name is (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene.

Molecular Properties

• Compound Name: (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene
• PubChem CID: 143772556
• Molecular Formula: C28H35F3O
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.26
• IUPAC Name: (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene
• SMILES: C=CCCC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C/C(=C)C(=C)/C(F)=C\C(=C)C(C)COC(C)C
• InChI: InChI=1S/C28H35F3O/c1-11-12-13-21(6)27(30)28(31)25(10)20(5)15-14-19(4)24(9)26(29)16-22(7)23(8)17-32-18(2)3/h11,14-16,18,23H,1,4-7,9-10,12-13,17H2,2-3,8H3/b15-14-,26-16+,28-27-
• InChIKey: OOXQYNBXJQAJDE-IWQRKRQQSA-N
• XLogP: 8.91
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene?

The IUPAC name of (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene (CID 143772556) is (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene.

What is the SMILES notation for (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene?

The canonical SMILES for (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene is C=CCCC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C/C(=C)C(=C)/C(F)=C\C(=C)C(C)COC(C)C.

What is the InChIKey of (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene?

The InChIKey is OOXQYNBXJQAJDE-IWQRKRQQSA-N. The full InChI is InChI=1S/C28H35F3O/c1-11-12-13-21(6)27(30)28(31)25(10)20(5)15-14-19(4)24(9)26(29)16-22(7)23(8)17-32-18(2)3/h11,14-16,18,23H,1,4-7,9-10,12-13,17H2,2-3,8H3/b15-14-,26-16+,28-27-.

What are the key properties of (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene?

(6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene has a molecular weight of 444.58 g/mol, XLogP of 8.91, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene is sourced from PubChem (CID 143772556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).