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19780-12-2 molecular structure
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dodec-5-yne

ChemBase ID: 112819
Molecular Formular: C12H22
Molecular Mass: 166.30308
Monoisotopic Mass: 166.1721507
SMILES and InChIs

SMILES:
CCCCCCC#CCCCC
Canonical SMILES:
CCCCCCC#CCCCC
InChI:
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-9,11H2,1-2H3
InChIKey:
JQPXWRQCSIYOOP-UHFFFAOYSA-N

Cite this record

CBID:112819 http://www.chembase.cn/molecule-112819.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodec-5-yne
IUPAC Traditional name
dodec-5-yne
Synonyms
5-DODECYNE
CAS Number
19780-12-2
PubChem SID
162098285
PubChem CID
140583

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05226035 external link Add to cart Please log in.
Data Source Data ID
PubChem 140583 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3832564  LogD (pH = 7.4) 5.3832564 
Log P 5.3832564  Molar Refractivity 56.3756 cm3
Polarizability 21.799913 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 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 - 05226035 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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