5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane

C14H21FO2 — CID 22876133

IUPAC5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC/C=C/C1COC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C14H21FO2/c1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12/h3-4,7,11-12,14H,2,5-6,8-10H2,1H3/b4-3+
InChIKeyFHZWUZGKVXWHFL-ONEGZZNKSA-N
MW240.32 g/mol
LogP3.60
Rot. Bonds3

About 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane

5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane (PubChem CID 22876133) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
PubChem CID22876133
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC/C=C/C1COC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C14H21FO2/c1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12/h3-4,7,11-12,14H,2,5-6,8-10H2,1H3/b4-3+
InChIKeyFHZWUZGKVXWHFL-ONEGZZNKSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The IUPAC name of 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane (CID 22876133) is 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane.
What is the SMILES notation for 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The canonical SMILES for 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane is CC/C=C/C1COC(C2CC=C(F)CC2)OC1.
What is the InChIKey of 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The InChIKey is FHZWUZGKVXWHFL-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H21FO2/c1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12/h3-4,7,11-12,14H,2,5-6,8-10H2,1H3/b4-3+.
What are the key properties of 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane has a molecular weight of 240.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane is sourced from PubChem (CID 22876133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).