5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane

C23H28O2 — CID 59498812

IUPAC5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane
SMILESC=CCCCCC1COC(c2ccc(-c3ccc(C)cc3)cc2)OC1
InChIInChI=1S/C23H28O2/c1-3-4-5-6-7-19-16-24-23(25-17-19)22-14-12-21(13-15-22)20-10-8-18(2)9-11-20/h3,8-15,19,23H,1,4-7,16-17H2,2H3
InChIKeyLXXBHDQFRWWJSD-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.07
Rot. Bonds7

About 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane

5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane (PubChem CID 59498812) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane.

Molecular Properties

Compound Name5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane
PubChem CID59498812
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane
SMILESC=CCCCCC1COC(c2ccc(-c3ccc(C)cc3)cc2)OC1
InChIInChI=1S/C23H28O2/c1-3-4-5-6-7-19-16-24-23(25-17-19)22-14-12-21(13-15-22)20-10-8-18(2)9-11-20/h3,8-15,19,23H,1,4-7,16-17H2,2H3
InChIKeyLXXBHDQFRWWJSD-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.07
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'}

Analyze 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-dec-9-enyl-1,3-dioxan-2-yl)-1-methylpyridin-1-ium
CID 101009955
4-(5-dec-9-enyl-1,3-dioxan-2-yl)-1-propylpyridin-1-ium
CID 101009957
5-hex-5-enyl-2-[4-[4-(4-methylhexoxy)phenyl]phenyl]-1,3-dioxane
CID 19834752
5-hex-5-enyl-2-[4-[4-[(2S)-octan-2-yl]oxyphenyl]phenyl]-1,3-dioxane
CID 18645079
2-[4-(4-octan-2-yloxyphenyl)phenyl]-5-oct-7-enyl-1,3-dioxane
CID 19834759
5-non-8-enyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]-1,3-dioxane
CID 19834815
2-[4-[4-(6-methyloctoxy)phenyl]phenyl]-5-undec-10-enyl-1,3-dioxane
CID 19834757
5-[(4S)-4-methylhexyl]-2-[4-(4-non-8-enoxyphenyl)phenyl]-1,3-dioxane
CID 139719136
5-but-3-enyl-2-(4-chlorophenyl)-1,3-dioxane
CID 18652891
2-(4-decoxyphenyl)-5-(5-undec-10-enyl-1,3-dioxan-2-yl)pyridine
CID 19821380
2-[4-[4-(6-methyloctoxy)phenyl]phenyl]-5-pent-4-enyl-1,3-dioxane
CID 19834737
5-but-3-enyl-2-(4-prop-1-ynylphenyl)-1,3-dioxane
CID 19781293

Frequently Asked Questions

What is the IUPAC name of 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane?
The IUPAC name of 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane (CID 59498812) is 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane.
What is the SMILES notation for 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane?
The canonical SMILES for 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane is C=CCCCCC1COC(c2ccc(-c3ccc(C)cc3)cc2)OC1.
What is the InChIKey of 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane?
The InChIKey is LXXBHDQFRWWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-3-4-5-6-7-19-16-24-23(25-17-19)22-14-12-21(13-15-22)20-10-8-18(2)9-11-20/h3,8-15,19,23H,1,4-7,16-17H2,2H3.
What are the key properties of 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane?
5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane has a molecular weight of 336.48 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-5-enyl-2-[4-(4-methylphenyl)phenyl]-1,3-dioxane is sourced from PubChem (CID 59498812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).