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27253-29-8 molecular structure
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zinc(2+) ion bis(2,2-dimethyloctanoate)

ChemBase ID: 303583
Molecular Formular: C20H38O4Zn
Molecular Mass: 407.89332
Monoisotopic Mass: 406.2061517
SMILES and InChIs

SMILES:
CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Zn+2]
Canonical SMILES:
CCCCCCC(C(=O)[O-])(C)C.CCCCCCC(C(=O)[O-])(C)C.[Zn+2]
InChI:
InChI=1S/2C10H20O2.Zn/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChIKey:
VNTDZUDTQCZFKN-UHFFFAOYSA-L

Cite this record

CBID:303583 http://www.chembase.cn/molecule-303583.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion bis(2,2-dimethyloctanoate)
IUPAC Traditional name
zinc(2+) ion bis(2,2-dimethyloctanoate)
Synonyms
Zinc neodecanoate
新癸酸锌
CAS Number
27253-29-8
EC Number
248-370-4
MDL Number
MFCD00014384

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 41312 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.169447  H Acceptors
H Donor LogD (pH = 5.5) 3.3022842 
LogD (pH = 7.4) 1.5872248  Log P 3.799034 
Molar Refractivity 60.1882 cm3 Polarizability 19.546532 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
TSCA Listed
expand Show data source
Purity
Zn 17.9-18.2% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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