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1073338-93-7 molecular structure
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ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate

ChemBase ID: 815757
Molecular Formular: C13H19BO5
Molecular Mass: 266.09796
Monoisotopic Mass: 266.13255411
SMILES and InChIs

SMILES:
o1c(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1ccc(o1)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C13H19BO5/c1-6-16-11(15)9-7-8-10(17-9)14-18-12(2,3)13(4,5)19-14/h7-8H,6H2,1-5H3
InChIKey:
UMMKKZJPSPIDGN-UHFFFAOYSA-N

Cite this record

CBID:815757 http://www.chembase.cn/molecule-815757.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
IUPAC Traditional name
ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
Synonyms
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
CAS Number
1073338-93-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38172 external link Add to cart
Data Source Data ID Price
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AJA-O38172 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2816  LogD (pH = 7.4) 3.2816 
Log P 3.2816  Molar Refractivity 64.1312 cm3
Polarizability 27.181414 Å3 Polar Surface Area 57.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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