Home > Compound List > Compound details
112309-98-5 molecular structure
click picture or here to close

1-ethenyl-4-[4-(4-ethenylphenoxy)butoxy]benzene

ChemBase ID: 143513
Molecular Formular: C20H22O2
Molecular Mass: 294.38748
Monoisotopic Mass: 294.16197994
SMILES and InChIs

SMILES:
C=Cc1ccc(cc1)OCCCCOc1ccc(cc1)C=C
Canonical SMILES:
C=Cc1ccc(cc1)OCCCCOc1ccc(cc1)C=C
InChI:
InChI=1S/C20H22O2/c1-3-17-7-11-19(12-8-17)21-15-5-6-16-22-20-13-9-18(4-2)10-14-20/h3-4,7-14H,1-2,5-6,15-16H2
InChIKey:
RAPXVKLHABTPOM-UHFFFAOYSA-N

Cite this record

CBID:143513 http://www.chembase.cn/molecule-143513.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethenyl-4-[4-(4-ethenylphenoxy)butoxy]benzene
IUPAC Traditional name
1-ethenyl-4-[4-(4-ethenylphenoxy)butoxy]benzene
Synonyms
JandaJel™ crosslinker
1,4-Bis(4-vinylphenoxy)butane
JandaJel™交联剂
1,4-二(4'-乙烯苯氧基)丁烷
CAS Number
112309-98-5
MDL Number
MFCD19443630
PubChem SID
162237732
PubChem CID
3847415

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
730262 external link Add to cart Please log in.
Data Source Data ID
PubChem 3847415 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5103507  LogD (pH = 7.4) 5.5103507 
Log P 5.5103507  Molar Refractivity 91.956 cm3
Polarizability 35.73658 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
123-128 °C expand Show data source
130-133 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
>90% expand Show data source
Empirical Formula (Hill Notation)
C20H22O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 730262 external link
Packaging
1 g in glass bottle
Legal Information
JandaJel is a trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle