1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene

C26H34O5 — CID 10550369

IUPAC1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
SMILESC=Cc1ccc(COCCOCCOCCOCCOCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C26H34O5/c1-3-23-5-9-25(10-6-23)21-30-19-17-28-15-13-27-14-16-29-18-20-31-22-26-11-7-24(4-2)8-12-26/h3-12H,1-2,13-22H2
InChIKeyPBZCWUXLGXTHBC-UHFFFAOYSA-N
MW426.55 g/mol
LogP4.76
Rot. Bonds18

About 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene

1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene (PubChem CID 10550369) has the molecular formula C26H34O5 and a molecular weight of 426.55 g/mol. Its IUPAC name is 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
PubChem CID10550369
Molecular FormulaC26H34O5
Molecular Weight426.55 g/mol
Exact Mass426.24
IUPAC Name1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
SMILESC=Cc1ccc(COCCOCCOCCOCCOCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C26H34O5/c1-3-23-5-9-25(10-6-23)21-30-19-17-28-15-13-27-14-16-29-18-20-31-22-26-11-7-24(4-2)8-12-26/h3-12H,1-2,13-22H2
InChIKeyPBZCWUXLGXTHBC-UHFFFAOYSA-N
XLogP4.76
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
CID 58592129
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
2-[(4-ethenylphenyl)methoxy]ethyl-dimethoxysilane
CID 154323756
1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89264123
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
CID 118177639
N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
CID 58421196

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The IUPAC name of 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene (CID 10550369) is 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The canonical SMILES for 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene is C=Cc1ccc(COCCOCCOCCOCCOCc2ccc(C=C)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The InChIKey is PBZCWUXLGXTHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O5/c1-3-23-5-9-25(10-6-23)21-30-19-17-28-15-13-27-14-16-29-18-20-31-22-26-11-7-24(4-2)8-12-26/h3-12H,1-2,13-22H2.
What are the key properties of 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene has a molecular weight of 426.55 g/mol, XLogP of 4.76, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene is sourced from PubChem (CID 10550369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).