Home > Compound List > Compound details
864776-02-3 molecular structure
click picture or here to close

4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane

ChemBase ID: 77465
Molecular Formular: C11H17BO3
Molecular Mass: 208.06188
Monoisotopic Mass: 208.1270748
SMILES and InChIs

SMILES:
o1ccc(c1C)B1OC(C(O1)(C)C)(C)C
Canonical SMILES:
Cc1occc1B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C11H17BO3/c1-8-9(6-7-13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3
InChIKey:
JMLBPHNESOKSEV-UHFFFAOYSA-N

Cite this record

CBID:77465 http://www.chembase.cn/molecule-77465.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane
IUPAC Traditional name
4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane
Synonyms
4,4,5,5-tetramethyl-2-(2-methyl-3-furyl)-1,3,2-dioxaborolane
2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan
2-(2-Methylfur-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-Methylfuran-3-boronic acid, pinacol ester
4,4,5,5-Tetramethyl-2-(2-methyl-3-furanyl)-1,3,2-dioxaborolane
CAS Number
864776-02-3
MDL Number
MFCD09879905
PubChem SID
162042337
PubChem CID
24229547

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24229547 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0991  LogD (pH = 7.4) 3.0991 
Log P 3.0991  Molar Refractivity 53.3762 cm3
Polarizability 22.635939 Å3 Polar Surface Area 31.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Toxic/Harmful/Irritant/Store under Argon expand Show data source
Purity
90% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle