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tert-butyl({[(1R,3R,5R,6R)-5-[(tert-butyldimethylsilyl)oxy]-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy})dimethylsilane
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ChemBase ID:
162220
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Molecular Formular:
C19H40O3Si2
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Molecular Mass:
372.6901
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Monoisotopic Mass:
372.2515982
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SMILES and InChIs
SMILES:
C1[C@H](C[C@H]([C@]2([C@@H]1O2)C)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
Canonical SMILES:
C[C@@]12O[C@@H]1C[C@H](C[C@H]2O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C19H40O3Si2/c1-17(2,3)23(8,9)21-14-12-15-19(7,20-15)16(13-14)22-24(10,11)18(4,5)6/h14-16H,12-13H2,1-11H3/t14-,15-,16-,19-/m1/s1
InChIKey:
NQALZHZPLDGLJR-YKTARERQSA-N
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Cite this record
CBID:162220 http://www.chembase.cn/molecule-162220.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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tert-butyl({[(1R,3R,5R,6R)-5-[(tert-butyldimethylsilyl)oxy]-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy})dimethylsilane
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IUPAC Traditional name
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tert-butyl({[(1R,3R,5R,6R)-5-[(tert-butyldimethylsilyl)oxy]-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy})dimethylsilane
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Synonyms
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[[(1R,2S,4R,6R)-1-Methyl-7-oxabicyclo[4.1.0]heptane-2,4-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-silane
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(1R,2S,4R,6R)-2,4-Bis(tert-butyldimethylsilyloxy)-1-methyl-cyclohexane 1,2-Epoxide
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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4.363
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LogD (pH = 7.4)
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4.363
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Log P
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4.363
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Molar Refractivity
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94.4051 cm3
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Polarizability
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42.20676 Å3
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Polar Surface Area
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30.99 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent