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205756-59-8 molecular structure
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methyl 1-{[tris(propan-2-yl)silyl]oxy}cyclopropane-1-carboxylate

ChemBase ID: 179163
Molecular Formular: C14H28O3Si
Molecular Mass: 272.45582
Monoisotopic Mass: 272.18077129
SMILES and InChIs

SMILES:
C1(CC1)(C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
Canonical SMILES:
COC(=O)C1(CC1)O[Si](C(C)C)(C(C)C)C(C)C
InChI:
InChI=1S/C14H28O3Si/c1-10(2)18(11(3)4,12(5)6)17-14(8-9-14)13(15)16-7/h10-12H,8-9H2,1-7H3
InChIKey:
GKGFNEIHUOXMRH-UHFFFAOYSA-N

Cite this record

CBID:179163 http://www.chembase.cn/molecule-179163.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1-{[tris(propan-2-yl)silyl]oxy}cyclopropane-1-carboxylate
IUPAC Traditional name
methyl 1-[(triisopropylsilyl)oxy]cyclopropane-1-carboxylate
Synonyms
1-[[Tris(1-methylethyl)silyl]oxy]cyclopropanecarboxylic Acid Methyl Ester
1-(Triisopropylsilyloxy)cyclopropylcarboxylic Acid Methyl Ester
CAS Number
205756-59-8
PubChem SID
164235073
PubChem CID
15480705

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T795585 external link Add to cart
PubChem 15480705 external link
Data Source Data ID Price
TRC
T795585 external link Add to cart Please log in.
Data Source Data ID
PubChem 15480705 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5798  LogD (pH = 7.4) 3.5798 
Log P 3.5798  Molar Refractivity 69.8273 cm3
Polarizability 30.179476 Å3 Polar Surface Area 35.53 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
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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