2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane

C18H26O4 — CID 21026948

IUPAC2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane
SMILESC=COCCOc1ccc(C2OC(CC)CC(CC)O2)cc1
InChIInChI=1S/C18H26O4/c1-4-15-13-16(5-2)22-18(21-15)14-7-9-17(10-8-14)20-12-11-19-6-3/h6-10,15-16,18H,3-5,11-13H2,1-2H3
InChIKeyZZKDZTLWOWBOBB-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.22
Rot. Bonds8

About 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane

2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane (PubChem CID 21026948) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane
PubChem CID21026948
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane
SMILESC=COCCOc1ccc(C2OC(CC)CC(CC)O2)cc1
InChIInChI=1S/C18H26O4/c1-4-15-13-16(5-2)22-18(21-15)14-7-9-17(10-8-14)20-12-11-19-6-3/h6-10,15-16,18H,3-5,11-13H2,1-2H3
InChIKeyZZKDZTLWOWBOBB-UHFFFAOYSA-N
XLogP4.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-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

Salicin
CID 439503
Coniferin
CID 5280372
Gastrodin
CID 115067
Dihydrogalangal acetate
CID 14638401
Dihydroconiferin
CID 14427336
Vanilloloside
CID 44577222
beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
CID 5145
Sergliflozin Etabonate
CID 9824918
beta-D-Glucopyranoside, 4-methylphenyl
CID 88447
1-(Diethoxymethyl)-4-methoxybenzene
CID 75468
Icariside D2
CID 10614148
Raspberryketone glucoside
CID 5320521

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane?
The IUPAC name of 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane (CID 21026948) is 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane?
The canonical SMILES for 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane is C=COCCOc1ccc(C2OC(CC)CC(CC)O2)cc1.
What is the InChIKey of 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane?
The InChIKey is ZZKDZTLWOWBOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-4-15-13-16(5-2)22-18(21-15)14-7-9-17(10-8-14)20-12-11-19-6-3/h6-10,15-16,18H,3-5,11-13H2,1-2H3.
What are the key properties of 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane?
2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane has a molecular weight of 306.40 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethenoxyethoxy)phenyl]-4,6-diethyl-1,3-dioxane is sourced from PubChem (CID 21026948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).