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21947-87-5 molecular structure
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bis({2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl})borane

ChemBase ID: 127052
Molecular Formular: C20H35B
Molecular Mass: 286.3029
Monoisotopic Mass: 286.28318152
SMILES and InChIs

SMILES:
B(C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C
Canonical SMILES:
CC1C(BC2CC3CC(C2C)C3(C)C)CC2CC1C2(C)C
InChI:
InChI=1S/C20H35B/c1-11-15-7-13(19(15,3)4)9-17(11)21-18-10-14-8-16(12(18)2)20(14,5)6/h11-18,21H,7-10H2,1-6H3
InChIKey:
KBGJOMVTAXYPAG-UHFFFAOYSA-N

Cite this record

CBID:127052 http://www.chembase.cn/molecule-127052.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis({2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl})borane
IUPAC Traditional name
diisopinocampheylborane
Synonyms
(+)-Di-3-pinanylborane
Diisopinocampheylborane
Ipc2BH
Diisopinocampheylborane
CAS Number
21947-87-5
PubChem SID
162221375
PubChem CID
12482041
Chemspider ID
10618744
Wikipedia Title
Diisopinocampheylborane

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.2884  LogD (pH = 7.4) 6.2884 
Log P 6.2884  Molar Refractivity 86.04 cm3
Polarizability 36.728764 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Colorless solid expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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