1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene

C24H28O2 — CID 21044973

IUPAC1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene
SMILESC=COCCOc1ccc(C2(c3ccc(C=C)cc3)CCCCC2)cc1
InChIInChI=1S/C24H28O2/c1-3-20-8-10-21(11-9-20)24(16-6-5-7-17-24)22-12-14-23(15-13-22)26-19-18-25-4-2/h3-4,8-15H,1-2,5-7,16-19H2
InChIKeyWCAGCFYDAWVKBG-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.12
Rot. Bonds8

About 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene

1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene (PubChem CID 21044973) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene
PubChem CID21044973
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene
SMILESC=COCCOc1ccc(C2(c3ccc(C=C)cc3)CCCCC2)cc1
InChIInChI=1S/C24H28O2/c1-3-20-8-10-21(11-9-20)24(16-6-5-7-17-24)22-12-14-23(15-13-22)26-19-18-25-4-2/h3-4,8-15H,1-2,5-7,16-19H2
InChIKeyWCAGCFYDAWVKBG-UHFFFAOYSA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene?
The IUPAC name of 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene (CID 21044973) is 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene is C=COCCOc1ccc(C2(c3ccc(C=C)cc3)CCCCC2)cc1.
What is the InChIKey of 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene?
The InChIKey is WCAGCFYDAWVKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-3-20-8-10-21(11-9-20)24(16-6-5-7-17-24)22-12-14-23(15-13-22)26-19-18-25-4-2/h3-4,8-15H,1-2,5-7,16-19H2.
What are the key properties of 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene?
1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene has a molecular weight of 348.49 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 21044973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).