(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene

C29H36F4O — CID 143772467

About (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene

(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene (PubChem CID 143772467) has the molecular formula C29H36F4O and a molecular weight of 476.60 g/mol. Its IUPAC name is (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene.

Molecular Properties

• Compound Name: (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene
• PubChem CID: 143772467
• Molecular Formula: C29H36F4O
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.27
• IUPAC Name: (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene
• SMILES: C=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)OCC(C)C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C
• InChI: InChI=1S/C29H36F4O/c1-11-12-13-14-21(6)26(30)27(31)22(7)19(4)15-16-20(5)23(8)28(32)29(33)24(9)25(10)34-17-18(2)3/h11-12,15-16,18,25H,4-9,13-14,17H2,1-3,10H3/b12-11+,16-15-,27-26-,29-28-
• InChIKey: PSGFEXJRRHSQRY-YBCJXCNUSA-N
• XLogP: 9.60
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	9.60
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 (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene?

The IUPAC name of (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene (CID 143772467) is (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene.

What is the SMILES notation for (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene?

The canonical SMILES for (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)OCC(C)C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C.

What is the InChIKey of (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene?

The InChIKey is PSGFEXJRRHSQRY-YBCJXCNUSA-N. The full InChI is InChI=1S/C29H36F4O/c1-11-12-13-14-21(6)26(30)27(31)22(7)19(4)15-16-20(5)23(8)28(32)29(33)24(9)25(10)34-17-18(2)3/h11-12,15-16,18,25H,4-9,13-14,17H2,1-3,10H3/b12-11+,16-15-,27-26-,29-28-.

What are the key properties of (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene?

(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene has a molecular weight of 476.60 g/mol, XLogP of 9.60, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene is sourced from PubChem (CID 143772467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).