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

C20H33FO4 — CID 22910618

IUPAC5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane
SMILESCCCCC1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1
InChIInChI=1S/C20H33FO4/c1-2-3-4-15-11-22-19(23-12-15)10-5-16-13-24-20(25-14-16)17-6-8-18(21)9-7-17/h8,15-17,19-20H,2-7,9-14H2,1H3
InChIKeyLYDLNBRVLFEJTR-UHFFFAOYSA-N
MW356.48 g/mol
LogP4.59
Rot. Bonds7

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

5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane (PubChem CID 22910618) has the molecular formula C20H33FO4 and a molecular weight of 356.48 g/mol. Its IUPAC name is 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane
PubChem CID22910618
Molecular FormulaC20H33FO4
Molecular Weight356.48 g/mol
Exact Mass356.24
IUPAC Name5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane
SMILESCCCCC1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1
InChIInChI=1S/C20H33FO4/c1-2-3-4-15-11-22-19(23-12-15)10-5-16-13-24-20(25-14-16)17-6-8-18(21)9-7-17/h8,15-17,19-20H,2-7,9-14H2,1H3
InChIKeyLYDLNBRVLFEJTR-UHFFFAOYSA-N
XLogP4.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane?
The IUPAC name of 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane (CID 22910618) is 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane.
What is the SMILES notation for 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane?
The canonical SMILES for 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane is CCCCC1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1.
What is the InChIKey of 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane?
The InChIKey is LYDLNBRVLFEJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FO4/c1-2-3-4-15-11-22-19(23-12-15)10-5-16-13-24-20(25-14-16)17-6-8-18(21)9-7-17/h8,15-17,19-20H,2-7,9-14H2,1H3.
What are the key properties of 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane?
5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane has a molecular weight of 356.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane is sourced from PubChem (CID 22910618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).