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

C19H31FO4 — CID 22910638

IUPAC2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
SMILESCCCC1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1
InChIInChI=1S/C19H31FO4/c1-2-3-14-10-21-18(22-11-14)9-4-15-12-23-19(24-13-15)16-5-7-17(20)8-6-16/h7,14-16,18-19H,2-6,8-13H2,1H3
InChIKeyBRQGDMSMJXEVDJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.20
Rot. Bonds6

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

2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane (PubChem CID 22910638) has the molecular formula C19H31FO4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
PubChem CID22910638
Molecular FormulaC19H31FO4
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
SMILESCCCC1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1
InChIInChI=1S/C19H31FO4/c1-2-3-14-10-21-18(22-11-14)9-4-15-12-23-19(24-13-15)16-5-7-17(20)8-6-16/h7,14-16,18-19H,2-6,8-13H2,1H3
InChIKeyBRQGDMSMJXEVDJ-UHFFFAOYSA-N
XLogP4.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.20
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-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane (CID 22910638) is 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane is CCCC1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The InChIKey is BRQGDMSMJXEVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FO4/c1-2-3-14-10-21-18(22-11-14)9-4-15-12-23-19(24-13-15)16-5-7-17(20)8-6-16/h7,14-16,18-19H,2-6,8-13H2,1H3.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
2-(4-fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane has a molecular weight of 342.45 g/mol, XLogP of 4.20, 6 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-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 22910638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).