5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane

C23H31FO4 — CID 88978797

IUPAC5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane
SMILESC=Cc1ccc(C2COC(C3COC(C4CCC(CF)CC4)OC3)OC2)cc1
InChIInChI=1S/C23H31FO4/c1-2-16-3-7-18(8-4-16)20-12-25-23(26-13-20)21-14-27-22(28-15-21)19-9-5-17(11-24)6-10-19/h2-4,7-8,17,19-23H,1,5-6,9-15H2
InChIKeyVNKNDTZDQHDTQR-UHFFFAOYSA-N
MW390.50 g/mol
LogP4.55
Rot. Bonds5

About 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane

5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane (PubChem CID 88978797) has the molecular formula C23H31FO4 and a molecular weight of 390.50 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane
PubChem CID88978797
Molecular FormulaC23H31FO4
Molecular Weight390.50 g/mol
Exact Mass390.22
IUPAC Name5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane
SMILESC=Cc1ccc(C2COC(C3COC(C4CCC(CF)CC4)OC3)OC2)cc1
InChIInChI=1S/C23H31FO4/c1-2-16-3-7-18(8-4-16)20-12-25-23(26-13-20)21-14-27-22(28-15-21)19-9-5-17(11-24)6-10-19/h2-4,7-8,17,19-23H,1,5-6,9-15H2
InChIKeyVNKNDTZDQHDTQR-UHFFFAOYSA-N
XLogP4.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane with MolForge

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Related Compounds

5-ethenyl-2-[4-[2-[4-[4-(fluoromethyl)cyclohexyl]phenyl]ethynyl]cyclohexyl]-1,3-dioxane
CID 88978863
5-(4-ethenylcyclohexyl)-2-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 88978860
5-ethenyl-2-[4-[3-fluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]cyclohexyl]-1,3-dioxane
CID 88978808
5-[4-[4-(3,3-difluoroprop-2-enyl)phenyl]phenyl]-2-(4-prop-2-enylcyclohexyl)-1,3-dioxane
CID 20599723
5-but-3-enyl-2-[4-(4-ethynylphenyl)cyclohexyl]-1,3-dioxane
CID 19781307
5-ethenyl-2-[4-[3-fluoro-4-[4-(fluoromethyl)cyclohexyl]cyclohex-2-en-1-yl]cyclohexyl]-1,3-dioxane
CID 88978855
1-cyclohexyl-4-ethenylbenzene
CID 21225537
(4-ethenylphenyl)cyclooctane
CID 19849973
2-[4-(4-chlorophenyl)cyclohexyl]-5-pent-4-enyl-1,3-dioxane
CID 18652901
5-ethenyl-2-[3-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenyl]-1,3-dioxane
CID 88978813
5-but-3-enyl-2-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1,3-dioxane
CID 18997892
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The IUPAC name of 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane (CID 88978797) is 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane.
What is the SMILES notation for 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The canonical SMILES for 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane is C=Cc1ccc(C2COC(C3COC(C4CCC(CF)CC4)OC3)OC2)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The InChIKey is VNKNDTZDQHDTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FO4/c1-2-16-3-7-18(8-4-16)20-12-25-23(26-13-20)21-14-27-22(28-15-21)19-9-5-17(11-24)6-10-19/h2-4,7-8,17,19-23H,1,5-6,9-15H2.
What are the key properties of 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane?
5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane has a molecular weight of 390.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane is sourced from PubChem (CID 88978797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).