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944912-19-0 molecular structure
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7-[(tert-butyldimethylsilyl)oxy]-3-{4-[(tert-butyldimethylsilyl)oxy]phenyl}-4H-chromen-4-one

ChemBase ID: 165355
Molecular Formular: C27H38O4Si2
Molecular Mass: 482.75922
Monoisotopic Mass: 482.23086276
SMILES and InChIs

SMILES:
c12c(ccc(c1)O[Si](C(C)(C)C)(C)C)c(=O)c(co2)c1ccc(cc1)O[Si](C(C)(C)C)(C)C
Canonical SMILES:
O=c1c(coc2c1ccc(c2)O[Si](C(C)(C)C)(C)C)c1ccc(cc1)O[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C27H38O4Si2/c1-26(2,3)32(7,8)30-20-13-11-19(12-14-20)23-18-29-24-17-21(15-16-22(24)25(23)28)31-33(9,10)27(4,5)6/h11-18H,1-10H3
InChIKey:
GZCZQFQHUYFLNW-UHFFFAOYSA-N

Cite this record

CBID:165355 http://www.chembase.cn/molecule-165355.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-[(tert-butyldimethylsilyl)oxy]-3-{4-[(tert-butyldimethylsilyl)oxy]phenyl}-4H-chromen-4-one
IUPAC Traditional name
7-[(tert-butyldimethylsilyl)oxy]-3-{4-[(tert-butyldimethylsilyl)oxy]phenyl}chromen-4-one
Synonyms
7-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-4H-1-benzopyran-4-one
Daidzein Bis-tert-butyldimethylsilyl Ether
CAS Number
944912-19-0
PubChem SID
162259488
PubChem CID
46780552

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D103505 external link Add to cart
PubChem 46780552 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 46780552 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.5248  LogD (pH = 7.4) 7.5248 
Log P 7.5248  Molar Refractivity 129.3982 cm3
Polarizability 54.588932 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
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Dichloromethane expand Show data source
Methanol 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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