2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane

C17H27FO4 — CID 22876864

IUPAC2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
SMILESCCCC1COC(C2COC(C3CC=C(F)CC3)OC2)OC1
InChIInChI=1S/C17H27FO4/c1-2-3-12-8-19-17(20-9-12)14-10-21-16(22-11-14)13-4-6-15(18)7-5-13/h6,12-14,16-17H,2-5,7-11H2,1H3
InChIKeyOUKIIQHSKLERSS-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.42
Rot. Bonds4

About 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane

2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane (PubChem CID 22876864) has the molecular formula C17H27FO4 and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
PubChem CID22876864
Molecular FormulaC17H27FO4
Molecular Weight314.40 g/mol
Exact Mass314.19
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
SMILESCCCC1COC(C2COC(C3CC=C(F)CC3)OC2)OC1
InChIInChI=1S/C17H27FO4/c1-2-3-12-8-19-17(20-9-12)14-10-21-16(22-11-14)13-4-6-15(18)7-5-13/h6,12-14,16-17H,2-5,7-11H2,1H3
InChIKeyOUKIIQHSKLERSS-UHFFFAOYSA-N
XLogP3.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane (CID 22876864) is 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane is CCCC1COC(C2COC(C3CC=C(F)CC3)OC2)OC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane?
The InChIKey is OUKIIQHSKLERSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO4/c1-2-3-12-8-19-17(20-9-12)14-10-21-16(22-11-14)13-4-6-15(18)7-5-13/h6,12-14,16-17H,2-5,7-11H2,1H3.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane?
2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane has a molecular weight of 314.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohex-3-en-1-yl)-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane is sourced from PubChem (CID 22876864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).