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1069-54-1 molecular structure
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bis(3-methylbutan-2-yl)borane

ChemBase ID: 127146
Molecular Formular: C10H23B
Molecular Mass: 154.10062
Monoisotopic Mass: 154.18928114
SMILES and InChIs

SMILES:
B(C(C(C)C)C)C(C)C(C)C
Canonical SMILES:
CC(C(C)C)BC(C(C)C)C
InChI:
InChI=1S/C10H23B/c1-7(2)9(5)11-10(6)8(3)4/h7-11H,1-6H3
InChIKey:
HXJFQNUWPUICNY-UHFFFAOYSA-N

Cite this record

CBID:127146 http://www.chembase.cn/molecule-127146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(3-methylbutan-2-yl)borane
IUPAC Traditional name
disiamylborane
Synonyms
Disiamylborane
CAS Number
1069-54-1
PubChem SID
162221468
PubChem CID
192733
6337887
Chemspider ID
167251
Wikipedia Title
Disiamylborane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6624  LogD (pH = 7.4) 4.6624 
Log P 4.6624  Molar Refractivity 47.805 cm3
Polarizability 21.249512 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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