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1599-67-3 molecular structure
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docos-1-ene

ChemBase ID: 107651
Molecular Formular: C22H44
Molecular Mass: 308.58476
Monoisotopic Mass: 308.34430141
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCCCC=C
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCCC=C
InChI:
InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
InChIKey:
SPURMHFLEKVAAS-UHFFFAOYSA-N

Cite this record

CBID:107651 http://www.chembase.cn/molecule-107651.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
docos-1-ene
IUPAC Traditional name
1-docosene
Synonyms
1-DOCOSENE
CAS Number
1599-67-3
PubChem SID
162093260
PubChem CID
74138

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05204474 external link Add to cart Please log in.
Data Source Data ID
PubChem 74138 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.9402485  LogD (pH = 7.4) 9.9402485 
Log P 9.9402485  Molar Refractivity 103.0683 cm3
Polarizability 41.151653 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 19  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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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