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822-28-6 molecular structure
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1-(ethenyloxy)hexadecane

ChemBase ID: 112000
Molecular Formular: C18H36O
Molecular Mass: 268.47784
Monoisotopic Mass: 268.27661577
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCOC=C
Canonical SMILES:
CCCCCCCCCCCCCCCCOC=C
InChI:
InChI=1S/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h4H,2-3,5-18H2,1H3
InChIKey:
UKDKWYQGLUUPBF-UHFFFAOYSA-N

Cite this record

CBID:112000 http://www.chembase.cn/molecule-112000.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(ethenyloxy)hexadecane
IUPAC Traditional name
hexadecane, 1-(ethenyloxy)-
Synonyms
VINYL HEXADECYL ETHER
CAS Number
822-28-6
PubChem SID
162096821
PubChem CID
69971

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05222129 external link Add to cart Please log in.
Data Source Data ID
PubChem 69971 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.2879467  LogD (pH = 7.4) 7.2879467 
Log P 7.2879467  Molar Refractivity 85.7903 cm3
Polarizability 34.39768 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds 16  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05222129 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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