1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene

C46H52O8 — CID 19900927

IUPAC1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene
SMILESC=COCCOc1ccc(C2(c3ccc(OCCOC=C)cc3)CCCC(c3ccc(OCCOC=C)cc3)(c3ccc(OCCOC=C)cc3)C2)cc1
InChIInChI=1S/C46H52O8/c1-5-47-28-32-51-41-18-10-37(11-19-41)45(38-12-20-42(21-13-38)52-33-29-48-6-2)26-9-27-46(36-45,39-14-22-43(23-15-39)53-34-30-49-7-3)40-16-24-44(25-17-40)54-35-31-50-8-4/h5-8,10-25H,1-4,9,26-36H2
InChIKeyHIIYREJOXAGAEQ-UHFFFAOYSA-N
MW732.91 g/mol
LogP9.69
Rot. Bonds24

About 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene

1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene (PubChem CID 19900927) has the molecular formula C46H52O8 and a molecular weight of 732.91 g/mol. Its IUPAC name is 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene
PubChem CID19900927
Molecular FormulaC46H52O8
Molecular Weight732.91 g/mol
Exact Mass732.37
IUPAC Name1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene
SMILESC=COCCOc1ccc(C2(c3ccc(OCCOC=C)cc3)CCCC(c3ccc(OCCOC=C)cc3)(c3ccc(OCCOC=C)cc3)C2)cc1
InChIInChI=1S/C46H52O8/c1-5-47-28-32-51-41-18-10-37(11-19-41)45(38-12-20-42(21-13-38)52-33-29-48-6-2)26-9-27-46(36-45,39-14-22-43(23-15-39)53-34-30-49-7-3)40-16-24-44(25-17-40)54-35-31-50-8-4/h5-8,10-25H,1-4,9,26-36H2
InChIKeyHIIYREJOXAGAEQ-UHFFFAOYSA-N
XLogP9.69
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
CID 20718251
1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene
CID 21044973
1-prop-2-enoxy-4-[1-(4-prop-2-enoxyphenyl)cyclopentyl]benzene
CID 23117522
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
4-(2-ethenoxyethoxy)benzoic acid
CID 15390034
bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
CID 59319783
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
CID 117316587
[4-(2-ethenoxyethoxy)phenyl]-phenyldiazene
CID 86210096
1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
CID 140897916
sodium 4-(2-ethenoxyethoxy)benzoate
CID 66850784

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene?
The IUPAC name of 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene (CID 19900927) is 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene.
What is the SMILES notation for 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene?
The canonical SMILES for 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene is C=COCCOc1ccc(C2(c3ccc(OCCOC=C)cc3)CCCC(c3ccc(OCCOC=C)cc3)(c3ccc(OCCOC=C)cc3)C2)cc1.
What is the InChIKey of 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene?
The InChIKey is HIIYREJOXAGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H52O8/c1-5-47-28-32-51-41-18-10-37(11-19-41)45(38-12-20-42(21-13-38)52-33-29-48-6-2)26-9-27-46(36-45,39-14-22-43(23-15-39)53-34-30-49-7-3)40-16-24-44(25-17-40)54-35-31-50-8-4/h5-8,10-25H,1-4,9,26-36H2.
What are the key properties of 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene?
1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene has a molecular weight of 732.91 g/mol, XLogP of 9.69, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene is sourced from PubChem (CID 19900927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).