5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane

C19H30F2O2 — CID 20600013

IUPAC5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane
SMILESC/C=C/CCC1OCC(C2CCC(CCC=C(F)F)CC2)CO1
InChIInChI=1S/C19H30F2O2/c1-2-3-4-8-19-22-13-17(14-23-19)16-11-9-15(10-12-16)6-5-7-18(20)21/h2-3,7,15-17,19H,4-6,8-14H2,1H3/b3-2+
InChIKeyZOGBURJKPQYVMQ-NSCUHMNNSA-N
MW328.44 g/mol
LogP5.70
Rot. Bonds7

About 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane

5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane (PubChem CID 20600013) has the molecular formula C19H30F2O2 and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane.

Molecular Properties

Compound Name5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane
PubChem CID20600013
Molecular FormulaC19H30F2O2
Molecular Weight328.44 g/mol
Exact Mass328.22
IUPAC Name5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane
SMILESC/C=C/CCC1OCC(C2CCC(CCC=C(F)F)CC2)CO1
InChIInChI=1S/C19H30F2O2/c1-2-3-4-8-19-22-13-17(14-23-19)16-11-9-15(10-12-16)6-5-7-18(20)21/h2-3,7,15-17,19H,4-6,8-14H2,1H3/b3-2+
InChIKeyZOGBURJKPQYVMQ-NSCUHMNNSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane with MolForge

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Related Compounds

5-[4-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-ethyl-1,3-dioxane
CID 20599988
5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane
CID 20600002
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-2-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 20599897
2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 59108126
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599518
5-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-2-pentyl-1,3-dioxane
CID 20599934
2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane
CID 20599519
5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-(4-pentan-2-ylcyclohexyl)-1,3-dioxane
CID 162548072
1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
CID 19842816
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 20599968
5-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2-[3-[4-[(E)-pent-3-enyl]cyclohexyl]oxypropyl]oxane
CID 20599940

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane?
The IUPAC name of 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane (CID 20600013) is 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane.
What is the SMILES notation for 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane?
The canonical SMILES for 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane is C/C=C/CCC1OCC(C2CCC(CCC=C(F)F)CC2)CO1.
What is the InChIKey of 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane?
The InChIKey is ZOGBURJKPQYVMQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H30F2O2/c1-2-3-4-8-19-22-13-17(14-23-19)16-11-9-15(10-12-16)6-5-7-18(20)21/h2-3,7,15-17,19H,4-6,8-14H2,1H3/b3-2+.
What are the key properties of 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane?
5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane has a molecular weight of 328.44 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane is sourced from PubChem (CID 20600013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).