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tert-butyldimethyl{[(1R,2R,4R,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy}silane
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ChemBase ID:
163262
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Molecular Formular:
C16H30O2Si
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Molecular Mass:
282.4937
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Monoisotopic Mass:
282.20150673
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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)C(=C)C
Canonical SMILES:
CC(=C)[C@H]1C[C@@H](O[Si](C(C)(C)C)(C)C)[C@]2([C@@H](C1)O2)C
InChI:
InChI=1S/C16H30O2Si/c1-11(2)12-9-13-16(6,17-13)14(10-12)18-19(7,8)15(3,4)5/h12-14H,1,9-10H2,2-8H3/t12-,13-,14-,16-/m1/s1
InChIKey:
MWZZSSGBPRVMNZ-IXYNUQLISA-N
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Cite this record
CBID:163262 http://www.chembase.cn/molecule-163262.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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tert-butyldimethyl{[(1R,2R,4R,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy}silane
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IUPAC Traditional name
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tert-butyldimethyl{[(1R,2R,4R,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy}silane
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Synonyms
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(1,1-Dimethylethyl)dimethyl[[(1R,2S,4R,6R)-1-methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]hept-2-yl]oxy]-silane
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6-tert-Butyldimethylsilyloxy-4-(1-methylethenyl)-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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2
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H Donor
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0
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LogD (pH = 5.5)
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3.6326
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LogD (pH = 7.4)
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3.6326
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Log P
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3.6326
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Molar Refractivity
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76.4504 cm3
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Polarizability
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32.81705 Å3
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Polar Surface Area
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21.76 Å2
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Rotatable Bonds
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4
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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