2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane

C25H32O2 — CID 139780813

IUPAC2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
SMILESC=CCCCCc1ccc(C2OCC(c3ccc(CCC)cc3)CO2)cc1
InChIInChI=1S/C25H32O2/c1-3-5-6-7-9-21-12-16-23(17-13-21)25-26-18-24(19-27-25)22-14-10-20(8-4-2)11-15-22/h3,10-17,24-25H,1,4-9,18-19H2,2H3
InChIKeyIVALSJXWWFZCEX-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.37
Rot. Bonds9

About 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane

2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane (PubChem CID 139780813) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
PubChem CID139780813
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
SMILESC=CCCCCc1ccc(C2OCC(c3ccc(CCC)cc3)CO2)cc1
InChIInChI=1S/C25H32O2/c1-3-5-6-7-9-21-12-16-23(17-13-21)25-26-18-24(19-27-25)22-14-10-20(8-4-2)11-15-22/h3,10-17,24-25H,1,4-9,18-19H2,2H3
InChIKeyIVALSJXWWFZCEX-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-pent-4-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780584
2-(4-pent-4-enylphenyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-dioxane
CID 139780654
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane
CID 54332797
2-(4-isothiocyanatophenyl)-5-(4-pentylphenyl)-1,3-dioxane
CID 14149958
2,5-bis(4-methylphenyl)-1,3-dioxane;1,4-bis(4-octylphenyl)piperazine
CID 91472105
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
3-(4-propylphenyl)oxetane
CID 130361103
5-butyl-4-methyl-2-(4-propylphenyl)-1,3-dioxane
CID 54287850
1-(4-but-3-enylcyclohex-3-en-1-yl)-4-pentylbenzene
CID 21464596

Frequently Asked Questions

What is the IUPAC name of 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane?
The IUPAC name of 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane (CID 139780813) is 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane.
What is the SMILES notation for 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane?
The canonical SMILES for 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane is C=CCCCCc1ccc(C2OCC(c3ccc(CCC)cc3)CO2)cc1.
What is the InChIKey of 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane?
The InChIKey is IVALSJXWWFZCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O2/c1-3-5-6-7-9-21-12-16-23(17-13-21)25-26-18-24(19-27-25)22-14-10-20(8-4-2)11-15-22/h3,10-17,24-25H,1,4-9,18-19H2,2H3.
What are the key properties of 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane?
2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane has a molecular weight of 364.53 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane is sourced from PubChem (CID 139780813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).