1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane

C24H44F4O — CID 144809473

IUPAC1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane
SMILESC=C(CCC)C(F)(F)C(F)(F)C(=C)C(C)COC(C)C(C)CCC(C)CC.CC
InChIInChI=1S/C22H38F4O.C2H6/c1-9-11-18(6)21(23,24)22(25,26)19(7)17(5)14-27-20(8)16(4)13-12-15(3)10-2;1-2/h15-17,20H,6-7,9-14H2,1-5,8H3;1-2H3
InChIKeyGEPHOCABUMCNEO-UHFFFAOYSA-N
MW424.61 g/mol
LogP8.70
Rot. Bonds14

About 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane

1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane (PubChem CID 144809473) has the molecular formula C24H44F4O and a molecular weight of 424.61 g/mol. Its IUPAC name is 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane.

Molecular Properties

Compound Name1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane
PubChem CID144809473
Molecular FormulaC24H44F4O
Molecular Weight424.61 g/mol
Exact Mass424.33
IUPAC Name1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane
SMILESC=C(CCC)C(F)(F)C(F)(F)C(=C)C(C)COC(C)C(C)CCC(C)CC.CC
InChIInChI=1S/C22H38F4O.C2H6/c1-9-11-18(6)21(23,24)22(25,26)19(7)17(5)14-27-20(8)16(4)13-12-15(3)10-2;1-2/h15-17,20H,6-7,9-14H2,1-5,8H3;1-2H3
InChIKeyGEPHOCABUMCNEO-UHFFFAOYSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane with MolForge

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Related Compounds

5-Ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane
CID 122536278
1-(9,9-Difluoronon-8-en-4-yloxy)-5-ethyl-1,1-difluorooctane
CID 122536280
1-(9,9-Difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane
CID 122536282
1-(4-Ethoxybut-1-en-2-yl)-4-propan-2-yl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane
CID 132044161
1-(2-Methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 143587510
2-[(4Z)-4,5-difluoro-2,6-dimethyl-3-methylidenehepta-4,6-dienoxy]-3,6,7,10-tetramethylundecane
CID 144139932
Ethene;3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene
CID 144809464
2,5-Dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene
CID 144809476
3,3,4,4-Tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
CID 144809529
2-Methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane
CID 144809541
3,3,4,4-Tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
CID 144809550
2,3,6-Trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane
CID 144809568

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane?
The IUPAC name of 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane (CID 144809473) is 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane.
What is the SMILES notation for 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane?
The canonical SMILES for 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane is C=C(CCC)C(F)(F)C(F)(F)C(=C)C(C)COC(C)C(C)CCC(C)CC.CC.
What is the InChIKey of 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane?
The InChIKey is GEPHOCABUMCNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F4O.C2H6/c1-9-11-18(6)21(23,24)22(25,26)19(7)17(5)14-27-20(8)16(4)13-12-15(3)10-2;1-2/h15-17,20H,6-7,9-14H2,1-5,8H3;1-2H3.
What are the key properties of 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane?
1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane has a molecular weight of 424.61 g/mol, XLogP of 8.70, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane is sourced from PubChem (CID 144809473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).