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

C22H38F4O — CID 144809474

IUPAC1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane
SMILESC=C(CCC)C(F)(F)C(F)(F)C(=C)C(C)COC(C)C(C)CCC(C)CC
InChIInChI=1S/C22H38F4O/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/h15-17,20H,6-7,9-14H2,1-5,8H3
InChIKeyQCVYVRANWGDLGW-UHFFFAOYSA-N
MW394.54 g/mol
LogP7.67
Rot. Bonds14

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

1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane (PubChem CID 144809474) has the molecular formula C22H38F4O and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane.

Molecular Properties

Compound Name1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane
PubChem CID144809474
Molecular FormulaC22H38F4O
Molecular Weight394.54 g/mol
Exact Mass394.29
IUPAC Name1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane
SMILESC=C(CCC)C(F)(F)C(F)(F)C(=C)C(C)COC(C)C(C)CCC(C)CC
InChIInChI=1S/C22H38F4O/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/h15-17,20H,6-7,9-14H2,1-5,8H3
InChIKeyQCVYVRANWGDLGW-UHFFFAOYSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 57.67
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'}

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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
1-(3,6-Dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane
CID 144809473
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

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?
The IUPAC name of 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane (CID 144809474) is 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane.
What is the SMILES notation for 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane?
The canonical SMILES for 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane is C=C(CCC)C(F)(F)C(F)(F)C(=C)C(C)COC(C)C(C)CCC(C)CC.
What is the InChIKey of 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane?
The InChIKey is QCVYVRANWGDLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F4O/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/h15-17,20H,6-7,9-14H2,1-5,8H3.
What are the key properties of 1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane?
1-(3,6-dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane has a molecular weight of 394.54 g/mol, XLogP of 7.67, 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 is sourced from PubChem (CID 144809474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).