4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane

C20H35F5O — CID 58813226

IUPAC4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
SMILESCCCCCCCCC1CC(CC)CC1COCCC(F)(F)C(F)(F)F
InChIInChI=1S/C20H35F5O/c1-3-5-6-7-8-9-10-17-13-16(4-2)14-18(17)15-26-12-11-19(21,22)20(23,24)25/h16-18H,3-15H2,1-2H3
InChIKeyOIOIXCINAOEYOW-UHFFFAOYSA-N
MW386.49 g/mol
LogP7.39
Rot. Bonds13

About 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane

4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane (PubChem CID 58813226) has the molecular formula C20H35F5O and a molecular weight of 386.49 g/mol. Its IUPAC name is 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane.

Molecular Properties

Compound Name4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
PubChem CID58813226
Molecular FormulaC20H35F5O
Molecular Weight386.49 g/mol
Exact Mass386.26
IUPAC Name4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
SMILESCCCCCCCCC1CC(CC)CC1COCCC(F)(F)C(F)(F)F
InChIInChI=1S/C20H35F5O/c1-3-5-6-7-8-9-10-17-13-16(4-2)14-18(17)15-26-12-11-19(21,22)20(23,24)25/h16-18H,3-15H2,1-2H3
InChIKeyOIOIXCINAOEYOW-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane?
The IUPAC name of 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane (CID 58813226) is 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane.
What is the SMILES notation for 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane?
The canonical SMILES for 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane is CCCCCCCCC1CC(CC)CC1COCCC(F)(F)C(F)(F)F.
What is the InChIKey of 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane?
The InChIKey is OIOIXCINAOEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F5O/c1-3-5-6-7-8-9-10-17-13-16(4-2)14-18(17)15-26-12-11-19(21,22)20(23,24)25/h16-18H,3-15H2,1-2H3.
What are the key properties of 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane?
4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane has a molecular weight of 386.49 g/mol, XLogP of 7.39, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane is sourced from PubChem (CID 58813226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).