(4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene

C30H38F4O — CID 143772617

About (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene

(4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene (PubChem CID 143772617) has the molecular formula C30H38F4O and a molecular weight of 490.63 g/mol. Its IUPAC name is (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene.

Molecular Properties

• Compound Name: (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene
• PubChem CID: 143772617
• Molecular Formula: C30H38F4O
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.29
• IUPAC Name: (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene
• SMILES: C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)COC(C)C)C(=C)/C(F)=C(\F)C(=C)C/C=C\CCC
• InChI: InChI=1S/C30H38F4O/c1-11-12-13-14-15-22(6)27(31)28(32)24(8)20(4)16-17-21(5)25(9)29(33)30(34)26(10)23(7)18-35-19(2)3/h13-14,16-17,19,23H,4-6,8-12,15,18H2,1-3,7H3/b14-13-,17-16-,28-27-,30-29-
• InChIKey: OOLUPFGEMLDBIC-RTMRTUMNSA-N
• XLogP: 9.99
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	9.99
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 (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene?

The IUPAC name of (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene (CID 143772617) is (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene.

What is the SMILES notation for (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene?

The canonical SMILES for (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)COC(C)C)C(=C)/C(F)=C(\F)C(=C)C/C=C\CCC.

What is the InChIKey of (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene?

The InChIKey is OOLUPFGEMLDBIC-RTMRTUMNSA-N. The full InChI is InChI=1S/C30H38F4O/c1-11-12-13-14-15-22(6)27(31)28(32)24(8)20(4)16-17-21(5)25(9)29(33)30(34)26(10)23(7)18-35-19(2)3/h13-14,16-17,19,23H,4-6,8-12,15,18H2,1-3,7H3/b14-13-,17-16-,28-27-,30-29-.

What are the key properties of (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene?

(4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene has a molecular weight of 490.63 g/mol, XLogP of 9.99, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene is sourced from PubChem (CID 143772617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).