1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane

C21H37FO — CID 19695327

IUPAC1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
SMILESCCOC(C)C1CCC(C2CCC(CC/C=C/CF)CC2)CC1
InChIInChI=1S/C21H37FO/c1-3-23-17(2)19-12-14-21(15-13-19)20-10-8-18(9-11-20)7-5-4-6-16-22/h4,6,17-21H,3,5,7-16H2,1-2H3/b6-4+
InChIKeyRZJHJVZSYZWSHG-GQCTYLIASA-N
MW324.52 g/mol
LogP6.33
Rot. Bonds8

About 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane

1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane (PubChem CID 19695327) has the molecular formula C21H37FO and a molecular weight of 324.52 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
PubChem CID19695327
Molecular FormulaC21H37FO
Molecular Weight324.52 g/mol
Exact Mass324.28
IUPAC Name1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
SMILESCCOC(C)C1CCC(C2CCC(CC/C=C/CF)CC2)CC1
InChIInChI=1S/C21H37FO/c1-3-23-17(2)19-12-14-21(15-13-19)20-10-8-18(9-11-20)7-5-4-6-16-22/h4,6,17-21H,3,5,7-16H2,1-2H3/b6-4+
InChIKeyRZJHJVZSYZWSHG-GQCTYLIASA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.52
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane (CID 19695327) is 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane is CCOC(C)C1CCC(C2CCC(CC/C=C/CF)CC2)CC1.
What is the InChIKey of 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane?
The InChIKey is RZJHJVZSYZWSHG-GQCTYLIASA-N. The full InChI is InChI=1S/C21H37FO/c1-3-23-17(2)19-12-14-21(15-13-19)20-10-8-18(9-11-20)7-5-4-6-16-22/h4,6,17-21H,3,5,7-16H2,1-2H3/b6-4+.
What are the key properties of 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane?
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane has a molecular weight of 324.52 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 19695327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).