(8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene

C30H38F4O — CID 143772650

IUPAC(8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene
SMILESC=CCCCCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)COC(C)C
InChIInChI=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/h11,16-17,19,23H,1,4-6,8-10,12-15,18H2,2-3,7H3/b17-16-,28-27-,30-29-
InChIKeyMWYJRAJMGHZVRV-VIGOCVRPSA-N
MW490.63 g/mol
LogP9.99
Rot. Bonds17

About (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene

(8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene (PubChem CID 143772650) has the molecular formula C30H38F4O and a molecular weight of 490.63 g/mol. Its IUPAC name is (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene.

Molecular Properties

Compound Name(8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene
PubChem CID143772650
Molecular FormulaC30H38F4O
Molecular Weight490.63 g/mol
Exact Mass490.29
IUPAC Name(8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene
SMILESC=CCCCCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)COC(C)C
InChIInChI=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/h11,16-17,19,23H,1,4-6,8-10,12-15,18H2,2-3,7H3/b17-16-,28-27-,30-29-
InChIKeyMWYJRAJMGHZVRV-VIGOCVRPSA-N
XLogP9.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene?
The IUPAC name of (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene (CID 143772650) is (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene.
What is the SMILES notation for (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene?
The canonical SMILES for (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene is C=CCCCCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)COC(C)C.
What is the InChIKey of (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene?
The InChIKey is MWYJRAJMGHZVRV-VIGOCVRPSA-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/h11,16-17,19,23H,1,4-6,8-10,12-15,18H2,2-3,7H3/b17-16-,28-27-,30-29-.
What are the key properties of (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene?
(8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene has a molecular weight of 490.63 g/mol, XLogP of 9.99, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,12Z,16Z)-8,9,16,17-tetrafluoro-19-methyl-7,10,11,14,15,18-hexamethylidene-20-propan-2-yloxyicosa-1,8,12,16-tetraene is sourced from PubChem (CID 143772650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).