5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane

C18H24O3 — CID 123547317

IUPAC5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane
SMILESCCOC1=CC=C(C2OCC(C3=CC=CCC3)CO2)CC1
InChIInChI=1S/C18H24O3/c1-2-19-17-10-8-15(9-11-17)18-20-12-16(13-21-18)14-6-4-3-5-7-14/h3-4,6,8,10,16,18H,2,5,7,9,11-13H2,1H3
InChIKeyIHBJMVCYXLPULJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.89
Rot. Bonds4

About 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane

5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane (PubChem CID 123547317) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane
PubChem CID123547317
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane
SMILESCCOC1=CC=C(C2OCC(C3=CC=CCC3)CO2)CC1
InChIInChI=1S/C18H24O3/c1-2-19-17-10-8-15(9-11-17)18-20-12-16(13-21-18)14-6-4-3-5-7-14/h3-4,6,8,10,16,18H,2,5,7,9,11-13H2,1H3
InChIKeyIHBJMVCYXLPULJ-UHFFFAOYSA-N
XLogP3.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane (CID 123547317) is 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane is CCOC1=CC=C(C2OCC(C3=CC=CCC3)CO2)CC1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane?
The InChIKey is IHBJMVCYXLPULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-2-19-17-10-8-15(9-11-17)18-20-12-16(13-21-18)14-6-4-3-5-7-14/h3-4,6,8,10,16,18H,2,5,7,9,11-13H2,1H3.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane?
5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane has a molecular weight of 288.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-2-(4-ethoxycyclohexa-1,3-dien-1-yl)-1,3-dioxane is sourced from PubChem (CID 123547317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).