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130056-68-7 molecular structure
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2-(tributylstannyl)furan-3-carbaldehyde

ChemBase ID: 64223
Molecular Formular: C17H30O2Sn
Molecular Mass: 385.1199
Monoisotopic Mass: 386.1267742
SMILES and InChIs

SMILES:
c1(c(cco1)C=O)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1occc1C=O)(CCCC)CCCC
InChI:
InChI=1S/C5H3O2.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKey:
YLADFMBEILHNON-UHFFFAOYSA-N

Cite this record

CBID:64223 http://www.chembase.cn/molecule-64223.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(tributylstannyl)furan-3-carbaldehyde
IUPAC Traditional name
2-(tributylstannyl)furan-3-carbaldehyde
Synonyms
2-(Tributylstannyl)furan-3-carboxaldehyde
3-Formyl-2-(tributylstannyl)furan
CAS Number
130056-68-7
MDL Number
MFCD09025794
PubChem SID
162029962
PubChem CID
10959990

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10959990 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9333  LogD (pH = 7.4) 3.9333 
Log P 3.9333  Molar Refractivity 82.2407 cm3
Polarizability 36.579727 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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