4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane

C16H25F3O — CID 58813238

IUPAC4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
SMILESC=CC1CC(/C=C/CCCC)C(COCC(F)(F)F)C1
InChIInChI=1S/C16H25F3O/c1-3-5-6-7-8-14-9-13(4-2)10-15(14)11-20-12-16(17,18)19/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3/b8-7+
InChIKeyOXNRALSWJOTBCG-BQYQJAHWSA-N
MW290.37 g/mol
LogP5.14
Rot. Bonds8

About 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane

4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane (PubChem CID 58813238) has the molecular formula C16H25F3O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane.

Molecular Properties

Compound Name4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
PubChem CID58813238
Molecular FormulaC16H25F3O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
SMILESC=CC1CC(/C=C/CCCC)C(COCC(F)(F)F)C1
InChIInChI=1S/C16H25F3O/c1-3-5-6-7-8-14-9-13(4-2)10-15(14)11-20-12-16(17,18)19/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3/b8-7+
InChIKeyOXNRALSWJOTBCG-BQYQJAHWSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.37
LogP ≤ 55.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane?
The IUPAC name of 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane (CID 58813238) is 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane.
What is the SMILES notation for 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane?
The canonical SMILES for 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane is C=CC1CC(/C=C/CCCC)C(COCC(F)(F)F)C1.
What is the InChIKey of 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane?
The InChIKey is OXNRALSWJOTBCG-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H25F3O/c1-3-5-6-7-8-14-9-13(4-2)10-15(14)11-20-12-16(17,18)19/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3/b8-7+.
What are the key properties of 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane?
4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane has a molecular weight of 290.37 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[(E)-hex-1-enyl]-2-(2,2,2-trifluoroethoxymethyl)cyclopentane is sourced from PubChem (CID 58813238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).