Home > Compound List > Compound details
35279-80-2 molecular structure
click picture or here to close

2,3,4,5-tetramethyl 1-palladacyclopenta-2,4-diene-2,3,4,5-tetracarboxylate

ChemBase ID: 139008
Molecular Formular: C12H12O8Pd
Molecular Mass: 390.63888
Monoisotopic Mass: 389.95670334
SMILES and InChIs

SMILES:
COC(=O)C1=C([Pd]C(=C1C(=O)OC)C(=O)OC)C(=O)OC
Canonical SMILES:
COC(=O)C1=C(C(=O)OC)C(=C([Pd]1)C(=O)OC)C(=O)OC
InChI:
InChI=1S/C12H12O8.Pd/c1-17-9(13)5-7(11(15)19-3)8(12(16)20-4)6-10(14)18-2;/h1-4H3;
InChIKey:
QOOMRGYIXJJBAC-UHFFFAOYSA-N

Cite this record

CBID:139008 http://www.chembase.cn/molecule-139008.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,4,5-tetramethyl 1-palladacyclopenta-2,4-diene-2,3,4,5-tetracarboxylate
IUPAC Traditional name
2,3,4,5-tetramethyl 1-palladacyclopenta-2,4-diene-2,3,4,5-tetracarboxylate
Synonyms
[1,2,3,4-Tetrakis(methoxycarbonyl)-1,3-butadiene-1,4-diyl]palladium(II)
[1,2,3,4-四(甲氧羰基)-1,3-丁二烯-1,4-二基]钯(II)
CAS Number
35279-80-2
MDL Number
MFCD00134416
PubChem SID
24863391
162233259
PubChem CID
3450219

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
375543 external link Add to cart Please log in.
Data Source Data ID
PubChem 3450219 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.1498  LogD (pH = 7.4) 0.1498 
Log P 0.1498  Molar Refractivity 64.806 cm3
Polarizability 29.730589 Å3 Polar Surface Area 105.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
207 °C (dec.)(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
97% expand Show data source
Empirical Formula (Hill Notation)
C12H12O8Pd expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle