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

C14H21FO2 — CID 22876134

IUPAC5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
SMILESC=CCCC1COC(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/h2,7,11-12,14H,1,3-6,8-10H2
InChIKeyRSVBTPWHNMXOJK-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.60
Rot. Bonds4

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

5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane (PubChem CID 22876134) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
PubChem CID22876134
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
SMILESC=CCCC1COC(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/h2,7,11-12,14H,1,3-6,8-10H2
InChIKeyRSVBTPWHNMXOJK-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

3,9-Di-3-cyclohexen-1-yl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 98143
2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-
CID 13782871
3-(3-Cyclohexenyl)-2,4-dioxaspiro(5.5)undec-8-ene
CID 15756
2,4-Dioxaspiro[5.5]undec-8-ene, 3-ethyl-
CID 116562
2-(Cyclohex-3-en-1-yl)-4,4,6-trimethyl-1,3-dioxane
CID 242720
Bis(3-cyclohexen-1-ylmethoxy)methane
CID 57227953
4,4,6-Trimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane
CID 230200
2-(2,6-Dimethyl-5-heptenyl)-5,5-dimethyl-1,3-dioxane
CID 3708293
5-[(E)-but-1-enyl]-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876091
5-But-3-enyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876092
5-Butyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876093
5-Ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876094

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The IUPAC name of 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane (CID 22876134) is 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane.
What is the SMILES notation for 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The canonical SMILES for 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane is C=CCCC1COC(C2CC=C(F)CC2)OC1.
What is the InChIKey of 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The InChIKey is RSVBTPWHNMXOJK-UHFFFAOYSA-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/h2,7,11-12,14H,1,3-6,8-10H2.
What are the key properties of 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane has a molecular weight of 240.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane is sourced from PubChem (CID 22876134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).