3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene

C18H28F6O3 — CID 176591312

IUPAC3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
SMILESCOCCCCCOCCCCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C18H28F6O3/c1-14-15(17(21,22)18(23,24)16(14,19)20)27-13-9-4-3-7-11-26-12-8-5-6-10-25-2/h3-13H2,1-2H3
InChIKeyYGVJXBRVDYWOJR-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.59
Rot. Bonds14

About 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene

3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene (PubChem CID 176591312) has the molecular formula C18H28F6O3 and a molecular weight of 406.41 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
PubChem CID176591312
Molecular FormulaC18H28F6O3
Molecular Weight406.41 g/mol
Exact Mass406.19
IUPAC Name3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
SMILESCOCCCCCOCCCCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C18H28F6O3/c1-14-15(17(21,22)18(23,24)16(14,19)20)27-13-9-4-3-7-11-26-12-8-5-6-10-25-2/h3-13H2,1-2H3
InChIKeyYGVJXBRVDYWOJR-UHFFFAOYSA-N
XLogP5.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
3,3,4,4,5,5-Hexafluoro-1-(4-methoxybutoxy)-2-methylcyclopentene
CID 176591313
3,3,4,4,5,5-Hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene
CID 176591317
1,3,3,4,4,5,5-Heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene
CID 176591323
3,3,4,4,5,5-Hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene
CID 176591325
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-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene
CID 176591338
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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene (CID 176591312) is 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene is COCCCCCOCCCCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene?
The InChIKey is YGVJXBRVDYWOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O3/c1-14-15(17(21,22)18(23,24)16(14,19)20)27-13-9-4-3-7-11-26-12-8-5-6-10-25-2/h3-13H2,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene has a molecular weight of 406.41 g/mol, XLogP of 5.59, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene is sourced from PubChem (CID 176591312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).