5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane

C18H26O2 — CID 54332797

IUPAC5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane
SMILESCCCC=CC1COC(c2ccc(CCC)cc2)OC1
InChIInChI=1S/C18H26O2/c1-3-5-6-8-16-13-19-18(20-14-16)17-11-9-15(7-4-2)10-12-17/h6,8-12,16,18H,3-5,7,13-14H2,1-2H3
InChIKeySZNAZUWGVGMMPI-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.66
Rot. Bonds6

About 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane

5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane (PubChem CID 54332797) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane.

Molecular Properties

Compound Name5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane
PubChem CID54332797
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane
SMILESCCCC=CC1COC(c2ccc(CCC)cc2)OC1
InChIInChI=1S/C18H26O2/c1-3-5-6-8-16-13-19-18(20-14-16)17-11-9-15(7-4-2)10-12-17/h6,8-12,16,18H,3-5,7,13-14H2,1-2H3
InChIKeySZNAZUWGVGMMPI-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.66
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

2-[4-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]phenyl]-5-pent-1-enyl-1,3-dioxane
CID 54130812
5-propyl-2-[4-[4-(4-propylcyclohexyl)but-3-enyl]phenyl]-1,3-dioxane
CID 56627238
2-(4-pent-4-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780584
2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780813
2-(4-chlorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]-1,3-dioxane
CID 19019259
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
2-(3,4-difluorophenyl)-5-[2-[5-[(E)-pent-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
CID 22910649
4-[5-[(E)-dec-1-enyl]-1,3-dioxan-2-yl]-1-ethylpyridin-1-ium
CID 101100878
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
3,6-bis(4-propylphenyl)-1,2,4,5-tetraoxane
CID 25256858
3-(4-propylphenyl)oxetane
CID 130361103
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 18997894

Frequently Asked Questions

What is the IUPAC name of 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane?
The IUPAC name of 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane (CID 54332797) is 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane.
What is the SMILES notation for 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane?
The canonical SMILES for 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane is CCCC=CC1COC(c2ccc(CCC)cc2)OC1.
What is the InChIKey of 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane?
The InChIKey is SZNAZUWGVGMMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-5-6-8-16-13-19-18(20-14-16)17-11-9-15(7-4-2)10-12-17/h6,8-12,16,18H,3-5,7,13-14H2,1-2H3.
What are the key properties of 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane?
5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane has a molecular weight of 274.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane is sourced from PubChem (CID 54332797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).