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3890-89-9 molecular structure
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copper(2+) ion dioctanoate

ChemBase ID: 108391
Molecular Formular: C16H30CuO4
Molecular Mass: 349.953
Monoisotopic Mass: 349.14400694
SMILES and InChIs

SMILES:
[Cu+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-]
Canonical SMILES:
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Cu+2]
InChI:
InChI=1S/2C8H16O2.Cu/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
InChIKey:
VNZQQAVATKSIBR-UHFFFAOYSA-L

Cite this record

CBID:108391 http://www.chembase.cn/molecule-108391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
copper(2+) ion dioctanoate
IUPAC Traditional name
copper(2+) dioctanoate
Synonyms
COPPER CAPRYLATE
CAS Number
3890-89-9
PubChem SID
162095632
PubChem CID
161318

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05207187 external link Add to cart Please log in.
Data Source Data ID
PubChem 161318 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.192975  H Acceptors
H Donor LogD (pH = 5.5) 2.2191668 
LogD (pH = 7.4) 0.510514  Log P 2.7000334 
Molar Refractivity 51.1127 cm3 Polarizability 15.86637 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five true 

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 - 05207187 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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