5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane

C18H26F4O2 — CID 123450659

IUPAC5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane
SMILESCCCC1COC(C=CC2CCC(C(F)=CC(F)(F)F)CC2)OC1
InChIInChI=1S/C18H26F4O2/c1-2-3-14-11-23-17(24-12-14)9-6-13-4-7-15(8-5-13)16(19)10-18(20,21)22/h6,9-10,13-15,17H,2-5,7-8,11-12H2,1H3
InChIKeyUVWAXDINLKEIFO-UHFFFAOYSA-N
MW350.40 g/mol
LogP5.55
Rot. Bonds5

About 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane

5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane (PubChem CID 123450659) has the molecular formula C18H26F4O2 and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane.

Molecular Properties

Compound Name5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane
PubChem CID123450659
Molecular FormulaC18H26F4O2
Molecular Weight350.40 g/mol
Exact Mass350.19
IUPAC Name5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane
SMILESCCCC1COC(C=CC2CCC(C(F)=CC(F)(F)F)CC2)OC1
InChIInChI=1S/C18H26F4O2/c1-2-3-14-11-23-17(24-12-14)9-6-13-4-7-15(8-5-13)16(19)10-18(20,21)22/h6,9-10,13-15,17H,2-5,7-8,11-12H2,1H3
InChIKeyUVWAXDINLKEIFO-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.40
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
CID 123381650
5-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxane
CID 123480399
[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate
CID 123266677
5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane
CID 123343356
2-[4-[4-[(E)-2-[4-[difluoro(trifluoromethoxy)methyl]cyclohexyl]ethenyl]cyclohexyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 90180120
1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 22011587
[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 123669151
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599483
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 20599965
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599496
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane?
The IUPAC name of 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane (CID 123450659) is 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane.
What is the SMILES notation for 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane?
The canonical SMILES for 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane is CCCC1COC(C=CC2CCC(C(F)=CC(F)(F)F)CC2)OC1.
What is the InChIKey of 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane?
The InChIKey is UVWAXDINLKEIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4O2/c1-2-3-14-11-23-17(24-12-14)9-6-13-4-7-15(8-5-13)16(19)10-18(20,21)22/h6,9-10,13-15,17H,2-5,7-8,11-12H2,1H3.
What are the key properties of 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane?
5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane has a molecular weight of 350.40 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane is sourced from PubChem (CID 123450659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).