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501004-24-6 molecular structure
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4-(trimethoxysilyl)butanal

ChemBase ID: 179190
Molecular Formular: C7H16O4Si
Molecular Mass: 192.28504
Monoisotopic Mass: 192.08178552
SMILES and InChIs

SMILES:
C(CCC=O)[Si](OC)(OC)OC
Canonical SMILES:
O=CCCC[Si](OC)(OC)OC
InChI:
InChI=1S/C7H16O4Si/c1-9-12(10-2,11-3)7-5-4-6-8/h6H,4-5,7H2,1-3H3
InChIKey:
LFBTVXFMAJQXJR-UHFFFAOYSA-N

Cite this record

CBID:179190 http://www.chembase.cn/molecule-179190.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(trimethoxysilyl)butanal
IUPAC Traditional name
4-(trimethoxysilyl)butanal
Synonyms
4-(Trimethoxysilyl)butanal
CAS Number
501004-24-6
PubChem SID
164235100
PubChem CID
10285853

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC T795735 external link Add to cart
PubChem 10285853 external link
Data Source Data ID Price
TRC
T795735 external link Add to cart Please log in.
Data Source Data ID
PubChem 10285853 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.640192  H Acceptors
H Donor LogD (pH = 5.5) 0.1644 
LogD (pH = 7.4) 0.16439998  Log P 0.1644 
Molar Refractivity 41.2034 cm3 Polarizability 18.79384 Å3
Polar Surface Area 44.76 Å2 Rotatable Bonds
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

TRC TRC
Toronto Research Chemicals - T795735 external link
It is used in the methods to examine alumina nanotubule membranes that were modified with specific silanes.

REFERENCES

REFERENCES

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  • • Martin, C., et al.: Science, 266, 1961 (1994)
  • • Haneda, M., et al.: Phys. Chem. Chem. Phys., 3, 1366 (1994)
  • • He, B., et al.: Langmuir, 22, 8263 (1994)
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PATENTS

PATENTS

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INTERNET

INTERNET

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