5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane

C24H40O5 — CID 145217149

IUPAC5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane
SMILESCOCCCCCCOc1ccc(C2COC(CCCCCCOC)OC2)cc1
InChIInChI=1S/C24H40O5/c1-25-16-8-4-3-7-11-24-28-19-22(20-29-24)21-12-14-23(15-13-21)27-18-10-6-5-9-17-26-2/h12-15,22,24H,3-11,16-20H2,1-2H3
InChIKeyXAFXTEYLXPZXBE-UHFFFAOYSA-N
MW408.58 g/mol
LogP5.33
Rot. Bonds16

About 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane

5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane (PubChem CID 145217149) has the molecular formula C24H40O5 and a molecular weight of 408.58 g/mol. Its IUPAC name is 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane.

Molecular Properties

Compound Name5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane
PubChem CID145217149
Molecular FormulaC24H40O5
Molecular Weight408.58 g/mol
Exact Mass408.29
IUPAC Name5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane
SMILESCOCCCCCCOc1ccc(C2COC(CCCCCCOC)OC2)cc1
InChIInChI=1S/C24H40O5/c1-25-16-8-4-3-7-11-24-28-19-22(20-29-24)21-12-14-23(15-13-21)27-18-10-6-5-9-17-26-2/h12-15,22,24H,3-11,16-20H2,1-2H3
InChIKeyXAFXTEYLXPZXBE-UHFFFAOYSA-N
XLogP5.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-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

2-[6-[4-[4-[4-[6-(oxiran-2-yl)hexoxy]phenyl]phenyl]phenoxy]hexyl]oxirane
CID 87427426
5-(4-pentoxyphenyl)-1,3-dioxane-2-carbaldehyde
CID 174828256
(4-hexoxyphenyl) 2-hexyl-1,3-dioxane-5-carboxylate
CID 18598209
1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene
CID 59498969
2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane
CID 139443809
5-[4-(4-methylcyclohexyl)butyl]-2-[6-[4-(4-methylphenyl)phenoxy]hexyl]-1,3-dioxane
CID 59265408
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
2-butyl-5-(4-hexoxyphenyl)-1,4-dioxane
CID 57028242
2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
CID 88773200

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane?
The IUPAC name of 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane (CID 145217149) is 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane.
What is the SMILES notation for 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane?
The canonical SMILES for 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane is COCCCCCCOc1ccc(C2COC(CCCCCCOC)OC2)cc1.
What is the InChIKey of 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane?
The InChIKey is XAFXTEYLXPZXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O5/c1-25-16-8-4-3-7-11-24-28-19-22(20-29-24)21-12-14-23(15-13-21)27-18-10-6-5-9-17-26-2/h12-15,22,24H,3-11,16-20H2,1-2H3.
What are the key properties of 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane?
5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane has a molecular weight of 408.58 g/mol, XLogP of 5.33, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methoxyhexoxy)phenyl]-2-(6-methoxyhexyl)-1,3-dioxane is sourced from PubChem (CID 145217149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).