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476004-83-8 molecular structure
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[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]boronic acid

ChemBase ID: 291600
Molecular Formular: C10H16B2O5
Molecular Mass: 237.85304
Monoisotopic Mass: 238.11838441
SMILES and InChIs

SMILES:
CC1(C)C(C)(C)OB(c2ccc(B(O)O)o2)O1
Canonical SMILES:
OB(c1ccc(o1)B1OC(C(O1)(C)C)(C)C)O
InChI:
InChI=1S/C10H16B2O5/c1-9(2)10(3,4)17-12(16-9)8-6-5-7(15-8)11(13)14/h5-6,13-14H,1-4H3
InChIKey:
MFYILWZIMRTJPE-UHFFFAOYSA-N

Cite this record

CBID:291600 http://www.chembase.cn/molecule-291600.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]boronic acid
IUPAC Traditional name
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-ylboronic acid
Synonyms
(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl)boronic acid
CAS Number
476004-83-8
MDL Number
MFCD11504967
PubChem SID
180677131
PubChem CID
70700254

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231551 Please log in.
Data Source Data ID
PubChem 70700254 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.4350133  H Acceptors
H Donor LogD (pH = 5.5) 2.558212 
LogD (pH = 7.4) 2.2795258  Log P 2.5632 
Molar Refractivity 51.2786 cm3 Polarizability 24.119476 Å3
Polar Surface Area 72.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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