5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene

C18H28O2 — CID 155348368

IUPAC5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CCC(OC(C)OCCC2CCCCC2)C=C1
InChIInChI=1S/C18H28O2/c1-3-16-9-11-18(12-10-16)20-15(2)19-14-13-17-7-5-4-6-8-17/h3,9-11,15,17-18H,1,4-8,12-14H2,2H3
InChIKeyJKMQIMQKZRGCNR-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.78
Rot. Bonds7

About 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene

5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene (PubChem CID 155348368) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene
PubChem CID155348368
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CCC(OC(C)OCCC2CCCCC2)C=C1
InChIInChI=1S/C18H28O2/c1-3-16-9-11-18(12-10-16)20-15(2)19-14-13-17-7-5-4-6-8-17/h3,9-11,15,17-18H,1,4-8,12-14H2,2H3
InChIKeyJKMQIMQKZRGCNR-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Octyl-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56607074
5-Hexyl-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56609136
5-Hexyl-2-[4-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56609363
5-Heptyl-2-[4-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56613788
5-Decyl-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56617609
5-Pentyl-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56620076
2-[4-(1,1,2,2,3,3,4-Heptafluorobutoxy)cyclohexa-1,5-dien-1-yl]-5-octyl-1,3-dioxane
CID 56623609
5-Octyl-2-[4-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56624124
5-Heptyl-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56629821
2-[4-(1,1,2,2,3,3,4-Heptafluorobutoxy)cyclohexa-1,5-dien-1-yl]-5-hexyl-1,3-dioxane
CID 56631265
2-[4-(1,1,2,2,3,3,4-Heptafluorobutoxy)cyclohexa-1,5-dien-1-yl]-5-heptyl-1,3-dioxane
CID 56636330
5-Nonyl-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56636713

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene?
The IUPAC name of 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene (CID 155348368) is 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene is C=CC1=CCC(OC(C)OCCC2CCCCC2)C=C1.
What is the InChIKey of 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene?
The InChIKey is JKMQIMQKZRGCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-16-9-11-18(12-10-16)20-15(2)19-14-13-17-7-5-4-6-8-17/h3,9-11,15,17-18H,1,4-8,12-14H2,2H3.
What are the key properties of 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene?
5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene has a molecular weight of 276.42 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 155348368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).