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308847-90-7 molecular structure
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tungsten(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)

ChemBase ID: 144933
Molecular Formular: C14H18W
Molecular Mass: 370.13272
Monoisotopic Mass: 370.09178158
SMILES and InChIs

SMILES:
CCC1=C[CH-]C=C1.CCC1=C[CH-]C=C1.[W+2]
Canonical SMILES:
CCC1=C[CH-]C=C1.CCC1=C[CH-]C=C1.[W+2]
InChI:
InChI=1S/2C7H9.W/c2*1-2-7-5-3-4-6-7;/h2*3-6H,2H2,1H3;/q2*-1;+2
InChIKey:
ZUIQXQUONSLEPC-UHFFFAOYSA-N

Cite this record

CBID:144933 http://www.chembase.cn/molecule-144933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tungsten(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)
IUPAC Traditional name
tungsten(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)
Synonyms
Bis(ethylcyclopentadienyl)tungsten(IV) dihydride
双(乙基环戊二烯)二氢化钨(IV)
CAS Number
308847-90-7
MDL Number
MFCD04126434
PubChem SID
24873642
162239145
PubChem CID
71311132

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
512567 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311132 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.09564  H Acceptors
H Donor LogD (pH = 5.5) 2.18693 
LogD (pH = 7.4) 2.18693  Log P 3.1115 
Molar Refractivity 31.3572 cm3 Polarizability 12.389141 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
48-52 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C14H20W expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 512567 external link
Packaging
2.5 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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