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209072-72-0 molecular structure
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1,4-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,4-dicarboxylate

ChemBase ID: 138306
Molecular Formular: C28H38O6
Molecular Mass: 470.59772
Monoisotopic Mass: 470.26683894
SMILES and InChIs

SMILES:
C=COCC1CCC(CC1)COC(=O)c1ccc(cc1)C(=O)OCC1CCC(CC1)COC=C
Canonical SMILES:
C=COCC1CCC(CC1)COC(=O)c1ccc(cc1)C(=O)OCC1CCC(CC1)COC=C
InChI:
InChI=1S/C28H38O6/c1-3-31-17-21-5-9-23(10-6-21)19-33-27(29)25-13-15-26(16-14-25)28(30)34-20-24-11-7-22(8-12-24)18-32-4-2/h3-4,13-16,21-24H,1-2,5-12,17-20H2
InChIKey:
UXMIQRKJEOXQPO-UHFFFAOYSA-N

Cite this record

CBID:138306 http://www.chembase.cn/molecule-138306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,4-dicarboxylate
IUPAC Traditional name
1,4-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,4-dicarboxylate
Synonyms
VEctomer® 4051 vinyl ether
Bis[[4-[(vinyloxy)methyl]cyclohexyl]methyl] terephthalate
VEctomer® 4051 乙烯醚
二[[4-[(乙烯基氧基)甲基]环己基]甲基]对苯二甲酸酯
CAS Number
209072-72-0
MDL Number
MFCD01863727
PubChem SID
162232562
PubChem CID
5188690

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
514810 external link Add to cart Please log in.
Data Source Data ID
PubChem 5188690 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.3609567  LogD (pH = 7.4) 6.3609567 
Log P 6.3609567  Molar Refractivity 131.286 cm3
Polarizability 51.76122 Å3 Polar Surface Area 71.06 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
168 °C expand Show data source
334.4 °F expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
43 expand Show data source
Safety Statements
22-24/25-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
90% expand Show data source
Linear Formula
C6H4-1,4-[CO2CH2C6H10CH2OCH=CH2]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 514810 external link
Legal Information
Product of Morflex, Inc. ®Registered trademark of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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