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263900-32-9 molecular structure
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methyl (3S)-5-[(tert-butyldimethylsilyl)oxy]-3-hydroxy-2,2-dimethylpentanoate

ChemBase ID: 173427
Molecular Formular: C14H30O4Si
Molecular Mass: 290.4711
Monoisotopic Mass: 290.19133597
SMILES and InChIs

SMILES:
C(=O)(C([C@H](CCO[Si](C(C)(C)C)(C)C)O)(C)C)OC
Canonical SMILES:
COC(=O)C([C@H](CCO[Si](C(C)(C)C)(C)C)O)(C)C
InChI:
InChI=1S/C14H30O4Si/c1-13(2,3)19(7,8)18-10-9-11(15)14(4,5)12(16)17-6/h11,15H,9-10H2,1-8H3/t11-/m0/s1
InChIKey:
XJIKOONPHLRYKP-NSHDSACASA-N

Cite this record

CBID:173427 http://www.chembase.cn/molecule-173427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (3S)-5-[(tert-butyldimethylsilyl)oxy]-3-hydroxy-2,2-dimethylpentanoate
IUPAC Traditional name
methyl (3S)-5-[(tert-butyldimethylsilyl)oxy]-3-hydroxy-2,2-dimethylpentanoate
Synonyms
(3S)-5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-hydroxy-2,2-dimethyl-pentanoic Acid Methyl Ester
(+)-Methyl (3S)-5-{[tert-Butyldimethylsilyl)oxy]}-3-hydroxy-2,2-dimethylpentanoate
CAS Number
263900-32-9
PubChem SID
164229337
PubChem CID
11748305

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M294410 external link Add to cart
PubChem 11748305 external link
Data Source Data ID Price
TRC
M294410 external link Add to cart Please log in.
Data Source Data ID
PubChem 11748305 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.399681  H Acceptors
H Donor LogD (pH = 5.5) 2.6601 
LogD (pH = 7.4) 2.6601  Log P 2.6601 
Molar Refractivity 73.5659 cm3 Polarizability 31.540339 Å3
Polar Surface Area 55.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ether expand Show data source
Ethyl Acetate expand Show data source
Hexane expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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