(2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene

C28H34F4O — CID 143772992

About (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene

(2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene (PubChem CID 143772992) has the molecular formula C28H34F4O and a molecular weight of 462.57 g/mol. Its IUPAC name is (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene.

Molecular Properties

• Compound Name: (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene
• PubChem CID: 143772992
• Molecular Formula: C28H34F4O
• Molecular Weight: 462.57 g/mol
• Exact Mass: 462.25
• IUPAC Name: (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene
• SMILES: C=C(/C=C/C(=C)C(=C)/C(F)=C(\F)C(=C)C/C=C\C)C(=C)/C(F)=C(/F)C(=C)C(C)OCC(C)C
• InChI: InChI=1S/C28H34F4O/c1-11-12-13-20(6)25(29)26(30)21(7)18(4)14-15-19(5)22(8)27(31)28(32)23(9)24(10)33-16-17(2)3/h11-12,14-15,17,24H,4-9,13,16H2,1-3,10H3/b12-11-,15-14-,26-25-,28-27-
• InChIKey: RPLHRBUUNPLJOT-BQXNSQBPSA-N
• XLogP: 9.21
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.57
LogP ≤ 5	9.21
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 (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene?

The IUPAC name of (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene (CID 143772992) is (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene.

What is the SMILES notation for (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene?

The canonical SMILES for (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene is C=C(/C=C/C(=C)C(=C)/C(F)=C(\F)C(=C)C/C=C\C)C(=C)/C(F)=C(/F)C(=C)C(C)OCC(C)C.

What is the InChIKey of (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene?

The InChIKey is RPLHRBUUNPLJOT-BQXNSQBPSA-N. The full InChI is InChI=1S/C28H34F4O/c1-11-12-13-20(6)25(29)26(30)21(7)18(4)14-15-19(5)22(8)27(31)28(32)23(9)24(10)33-16-17(2)3/h11-12,14-15,17,24H,4-9,13,16H2,1-3,10H3/b12-11-,15-14-,26-25-,28-27-.

What are the key properties of (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene?

(2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene has a molecular weight of 462.57 g/mol, XLogP of 9.21, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,6Z,10Z,14Z)-6,7,14,15-tetrafluoro-5,8,9,12,13,16-hexamethylidene-17-(2-methylpropoxy)octadeca-2,6,10,14-tetraene is sourced from PubChem (CID 143772992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).