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28065-46-5 molecular structure
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bis[2-(oxiran-2-yl)ethyl]-1$l^{5},2$l^{5},3$l^{5},4$l^{5},5$l^{5},6$l^{5},7$l^{5},8$l^{5},9$l^{5},10$l^{5}-decaboranonadecacyclo[5.4.1.0^{1,3}.0^{1,4}.0^{2,6}.0^{2,7}.0^{2,12}.0^{3,5}.0^{3,6}.0^{4,9}.0^{4,11}.0^{5,8}.0^{5,9}.0^{6,8}.0^{7,10}.0^{8,10}.0^{9,11}.0^{10,12}.0^{11,12}]dodecane

ChemBase ID: 64543
Molecular Formular: C10H14B10O2
Molecular Mass: 274.32696
Monoisotopic Mass: 276.19243369
SMILES and InChIs

SMILES:
[B]1234[B]567[B]891[B]1%104[B]4%113[B]325[B]257[B]768[B]691[C]157([B]432[C]%10%1161CCC1OC1)CCC1OC1
Canonical SMILES:
C1OC1CC[C]1234[B]567[B]891[B]1%102[C]2%114([B]435[B]357[B]768[B]691[B]1%102[B]%1143[B]5761)CCC1CO1
InChI:
InChI=1S/C10H14B10O2/c1(7-5-21-7)3-9-10(4-2-8-6-22-8)11(9)13(9)14(9)12(9,10)16(10)15(10,11)17(11,13)19(13,14)18(12,14,16)20(15,16,17)19/h7-8H,1-6H2
InChIKey:
RHHIOCMVHVXLQF-UHFFFAOYSA-N

Cite this record

CBID:64543 http://www.chembase.cn/molecule-64543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis[2-(oxiran-2-yl)ethyl]-1$l^{5},2$l^{5},3$l^{5},4$l^{5},5$l^{5},6$l^{5},7$l^{5},8$l^{5},9$l^{5},10$l^{5}-decaboranonadecacyclo[5.4.1.0^{1,3}.0^{1,4}.0^{2,6}.0^{2,7}.0^{2,12}.0^{3,5}.0^{3,6}.0^{4,9}.0^{4,11}.0^{5,8}.0^{5,9}.0^{6,8}.0^{7,10}.0^{8,10}.0^{9,11}.0^{10,12}.0^{11,12}]dodecane
IUPAC Traditional name
bis[2-(oxiran-2-yl)ethyl]-1$l^{5},2$l^{5},3$l^{5},4$l^{5},5$l^{5},6$l^{5},7$l^{5},8$l^{5},9$l^{5},10$l^{5}-decaboranonadecacyclo[5.4.1.0^{1,3}.0^{1,4}.0^{2,6}.0^{2,7}.0^{2,12}.0^{3,5}.0^{3,6}.0^{4,9}.0^{4,11}.0^{5,8}.0^{5,9}.0^{6,8}.0^{7,10}.0^{8,10}.0^{9,11}.0^{10,12}.0^{11,12}]dodecane
Synonyms
1,2-Bis(epoxybutyl)carborane
CAS Number
28065-46-5
MDL Number
MFCD11114555
PubChem SID
162030282
PubChem CID
0

DATA SOURCES

DATA SOURCES

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Matrix Scientific
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Data Source Data ID
PubChem 0 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 64.4002 cm3 Polar Surface Area 25.06 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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