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3553-93-3 molecular structure
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1-(trimethylsilyl)piperidin-2-one

ChemBase ID: 179258
Molecular Formular: C8H17NOSi
Molecular Mass: 171.31218
Monoisotopic Mass: 171.1079407
SMILES and InChIs

SMILES:
C1CCCN(C1=O)[Si](C)(C)C
Canonical SMILES:
O=C1CCCCN1[Si](C)(C)C
InChI:
InChI=1S/C8H17NOSi/c1-11(2,3)9-7-5-4-6-8(9)10/h4-7H2,1-3H3
InChIKey:
PMQNJTKTWDVUNY-UHFFFAOYSA-N

Cite this record

CBID:179258 http://www.chembase.cn/molecule-179258.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(trimethylsilyl)piperidin-2-one
IUPAC Traditional name
1-(trimethylsilyl)piperidin-2-one
Synonyms
N-Trimethylsilyl-2-piperidinone
1-(Trimethylsilyl)-2-piperidinone
Trimethylsilyl Valerolactam
CAS Number
3553-93-3
PubChem SID
164235168
PubChem CID
5171660

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T796970 external link Add to cart
PubChem 5171660 external link
Data Source Data ID Price
TRC
T796970 external link Add to cart Please log in.
Data Source Data ID
PubChem 5171660 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4570968  LogD (pH = 7.4) 1.4570999 
Log P 1.4571  Molar Refractivity 43.3992 cm3
Polarizability 18.87908 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Clear Colourless Liquid expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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