(2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene

C29H37F3O — CID 143773153

About (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene

(2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene (PubChem CID 143773153) has the molecular formula C29H37F3O and a molecular weight of 458.61 g/mol. Its IUPAC name is (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene.

Molecular Properties

• Compound Name: (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
• PubChem CID: 143773153
• Molecular Formula: C29H37F3O
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.28
• IUPAC Name: (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
• SMILES: C=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C)C(=C)/C=C(/F)C(=C)C(C)COC(C)C
• InChI: InChI=1S/C29H37F3O/c1-11-12-13-14-22(6)28(31)29(32)26(10)21(5)16-15-20(4)23(7)17-27(30)25(9)24(8)18-33-19(2)3/h11-12,15-17,19,24H,4-7,9-10,13-14,18H2,1-3,8H3/b12-11+,16-15-,27-17+,29-28-
• InChIKey: NZWMIYJWPDUIOL-JNSQNBBASA-N
• XLogP: 9.30
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	9.30
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,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?

The IUPAC name of (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene (CID 143773153) is (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene.

What is the SMILES notation for (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?

The canonical SMILES for (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C)C(=C)/C=C(/F)C(=C)C(C)COC(C)C.

What is the InChIKey of (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?

The InChIKey is NZWMIYJWPDUIOL-JNSQNBBASA-N. The full InChI is InChI=1S/C29H37F3O/c1-11-12-13-14-22(6)28(31)29(32)26(10)21(5)16-15-20(4)23(7)17-27(30)25(9)24(8)18-33-19(2)3/h11-12,15-17,19,24H,4-7,9-10,13-14,18H2,1-3,8H3/b12-11+,16-15-,27-17+,29-28-.

What are the key properties of (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?

(2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene has a molecular weight of 458.61 g/mol, XLogP of 9.30, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene is sourced from PubChem (CID 143773153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).