3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene

C16H24F6O4 — CID 176591325

IUPAC3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene
SMILESCOCC(C)OCC(C)OCC(C)OC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C16H24F6O4/c1-9(6-23-5)24-7-10(2)25-8-11(3)26-13-12(4)14(17,18)16(21,22)15(13,19)20/h9-11H,6-8H2,1-5H3
InChIKeyGQMCWUMSIRHJRG-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.04
Rot. Bonds10

About 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene

3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene (PubChem CID 176591325) has the molecular formula C16H24F6O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene
PubChem CID176591325
Molecular FormulaC16H24F6O4
Molecular Weight394.35 g/mol
Exact Mass394.16
IUPAC Name3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene
SMILESCOCC(C)OCC(C)OCC(C)OC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C16H24F6O4/c1-9(6-23-5)24-7-10(2)25-8-11(3)26-13-12(4)14(17,18)16(21,22)15(13,19)20/h9-11H,6-8H2,1-5H3
InChIKeyGQMCWUMSIRHJRG-UHFFFAOYSA-N
XLogP4.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene
CID 54128740
3,3,4,4,5,5-Hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
CID 176591312
3,3,4,4,5,5-Hexafluoro-1-(4-methoxybutoxy)-2-methylcyclopentene
CID 176591313
3,3,4,4,5,5-Hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene
CID 176591333
3,3,4,4,5,5-Hexafluoro-1-(2-methoxyethoxy)-2-methylcyclopentene
CID 176591340
3,3,4,4,5,5-Hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene
CID 176591344
3,3,4,4,5,5-Hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene
CID 176591345
3,3,4,4,5,5-Hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene
CID 176591346
3,3,4,4,5,5-Hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene
CID 176591349
3,3,4,4,5,5-Hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene
CID 176591350
3,3,4,4,5,5-Hexafluoro-1-(5-methoxypentoxy)-2-methylcyclopentene
CID 176591355

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene (CID 176591325) is 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene is COCC(C)OCC(C)OCC(C)OC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene?
The InChIKey is GQMCWUMSIRHJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6O4/c1-9(6-23-5)24-7-10(2)25-8-11(3)26-13-12(4)14(17,18)16(21,22)15(13,19)20/h9-11H,6-8H2,1-5H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene has a molecular weight of 394.35 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene is sourced from PubChem (CID 176591325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).