4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane

C20H31F5O — CID 58813241

IUPAC4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
SMILESC=CC1CC(/C=C/CCCCCC)C(COCCC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C20H31F5O/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/h4,9-10,16-18H,2-3,5-8,11-15H2,1H3/b10-9+
InChIKeyOTVFYAIJMAMOMU-MDZDMXLPSA-N
MW382.46 g/mol
LogP6.95
Rot. Bonds12

About 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane

4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane (PubChem CID 58813241) has the molecular formula C20H31F5O and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane.

Molecular Properties

Compound Name4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
PubChem CID58813241
Molecular FormulaC20H31F5O
Molecular Weight382.46 g/mol
Exact Mass382.23
IUPAC Name4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
SMILESC=CC1CC(/C=C/CCCCCC)C(COCCC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C20H31F5O/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/h4,9-10,16-18H,2-3,5-8,11-15H2,1H3/b10-9+
InChIKeyOTVFYAIJMAMOMU-MDZDMXLPSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane 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

5-(Octaoxymethyl)-2-norbornene
CID 86185185
5-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 20743866
1-(3,3-difluorobutoxymethyl)-4-ethenyl-2-[(E)-oct-1-enyl]cyclopentane
CID 58813218
3-[(Z)-2-[4-ethenyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)cyclopentyl]ethenyl]-1-[(E)-hex-1-enyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 58813225
5-(2,2,3,3,3-Pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813233
4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 58813238
5-(3,3,4,4,4-Pentafluorobutoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813239
5-(2,2,2-Trifluoroethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813249
(2R)-1,1,1,2-tetrafluoro-3-[[4-methyl-2-[(E)-prop-1-enyl]cyclopentyl]methoxy]propan-2-ol
CID 60109231
5-[Difluoro-[(2-methylpropan-2-yl)oxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 69024966
5-(3,3,3-Trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 71171150
5-[(1,1,2,4,4,5,5,6,6,6-Decafluoro-3-oxahexoxy)methyl]-bicyclo[2.2.1]hept-2-ene
CID 87073866

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane?
The IUPAC name of 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane (CID 58813241) is 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane.
What is the SMILES notation for 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane?
The canonical SMILES for 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane is C=CC1CC(/C=C/CCCCCC)C(COCCC(F)(F)C(F)(F)F)C1.
What is the InChIKey of 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane?
The InChIKey is OTVFYAIJMAMOMU-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H31F5O/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/h4,9-10,16-18H,2-3,5-8,11-15H2,1H3/b10-9+.
What are the key properties of 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane?
4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane has a molecular weight of 382.46 g/mol, XLogP of 6.95, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[(E)-oct-1-enyl]-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane is sourced from PubChem (CID 58813241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).