2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane

C26H34O6 — CID 59848177

IUPAC2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane
SMILESc1ccc(C2OCC(OCCCCCCOC3COC(c4ccccc4)OC3)CO2)cc1
InChIInChI=1S/C26H34O6/c1(9-15-27-23-17-29-25(30-18-23)21-11-5-3-6-12-21)2-10-16-28-24-19-31-26(32-20-24)22-13-7-4-8-14-22/h3-8,11-14,23-26H,1-2,9-10,15-20H2
InChIKeyOGRULZBRVOOSQT-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.81
Rot. Bonds11

About 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane

2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane (PubChem CID 59848177) has the molecular formula C26H34O6 and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane.

Molecular Properties

Compound Name2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane
PubChem CID59848177
Molecular FormulaC26H34O6
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane
SMILESc1ccc(C2OCC(OCCCCCCOC3COC(c4ccccc4)OC3)CO2)cc1
InChIInChI=1S/C26H34O6/c1(9-15-27-23-17-29-25(30-18-23)21-11-5-3-6-12-21)2-10-16-28-24-19-31-26(32-20-24)22-13-7-4-8-14-22/h3-8,11-14,23-26H,1-2,9-10,15-20H2
InChIKeyOGRULZBRVOOSQT-UHFFFAOYSA-N
XLogP4.81
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-decoxy-2-phenyl-1,3-dioxane
CID 15077847
2-phenyl-5-prop-2-ynoxy-1,3-dioxane
CID 134275643
(4aR,6R,8aS)-6-octoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 102020103
1-(3-bromopropyl)-4-methyl-2,6-dioxabicyclo[2.2.2]octane;4-methyl-1-[3-[(2-phenyl-1,3-dioxan-5-yl)oxy]propyl]-2,6,7-trioxabicyclo[2.2.2]octane;2-phenyl-1,3-dioxan-5-ol
CID 159449288
CID 59269157
CID 59269157
5-(6-bromohexyl)-2-phenyl-1,3-dioxane
CID 58676112
4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane
CID 70507208
4-phenyl-3,5-dioxa-8-thiabicyclo[5.1.0]octane
CID 162369787
2-phenyl-1,3-dioxonane
CID 70602118
2-[[(4aR,6R,7R,8S,8aS)-7-(2-aminoethoxy)-6-decoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]ethanamine
CID 102193452
(2-phenyl-1,3-dioxan-5-yl) (2S)-2-aminopropanoate
CID 102258181
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane?
The IUPAC name of 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane (CID 59848177) is 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane.
What is the SMILES notation for 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane?
The canonical SMILES for 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane is c1ccc(C2OCC(OCCCCCCOC3COC(c4ccccc4)OC3)CO2)cc1.
What is the InChIKey of 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane?
The InChIKey is OGRULZBRVOOSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O6/c1(9-15-27-23-17-29-25(30-18-23)21-11-5-3-6-12-21)2-10-16-28-24-19-31-26(32-20-24)22-13-7-4-8-14-22/h3-8,11-14,23-26H,1-2,9-10,15-20H2.
What are the key properties of 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane?
2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane has a molecular weight of 442.55 g/mol, XLogP of 4.81, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane is sourced from PubChem (CID 59848177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).