(5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene

C26H38F4 — CID 15119646

IUPAC(5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene
SMILESC/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(F)F)CCC=C(F)F
InChIInChI=1S/C26H38F4/c1-21(13-7-15-23(3)17-9-19-25(27)28)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26(29)30/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/b21-11+,22-12+,23-15+,24-16+
InChIKeyLNRHWXXZTZKKRR-GENXYJBDSA-N
MW426.58 g/mol
LogP10.23
Rot. Bonds15

About (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene

(5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene (PubChem CID 15119646) has the molecular formula C26H38F4 and a molecular weight of 426.58 g/mol. Its IUPAC name is (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene.

Molecular Properties

Compound Name(5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene
PubChem CID15119646
Molecular FormulaC26H38F4
Molecular Weight426.58 g/mol
Exact Mass426.29
IUPAC Name(5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene
SMILESC/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(F)F)CCC=C(F)F
InChIInChI=1S/C26H38F4/c1-21(13-7-15-23(3)17-9-19-25(27)28)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26(29)30/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/b21-11+,22-12+,23-15+,24-16+
InChIKeyLNRHWXXZTZKKRR-GENXYJBDSA-N
XLogP10.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.58
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
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Frequently Asked Questions

What is the IUPAC name of (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene?
The IUPAC name of (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene (CID 15119646) is (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene.
What is the SMILES notation for (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene?
The canonical SMILES for (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene is C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(F)F)CCC=C(F)F.
What is the InChIKey of (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene?
The InChIKey is LNRHWXXZTZKKRR-GENXYJBDSA-N. The full InChI is InChI=1S/C26H38F4/c1-21(13-7-15-23(3)17-9-19-25(27)28)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26(29)30/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/b21-11+,22-12+,23-15+,24-16+.
What are the key properties of (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene?
(5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene has a molecular weight of 426.58 g/mol, XLogP of 10.23, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene is sourced from PubChem (CID 15119646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).