-
prop-2-en-1-ylbis[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl]borane
-
ChemBase ID:
140743
-
Molecular Formular:
C23H39B
-
Molecular Mass:
326.36676
-
Monoisotopic Mass:
326.31448165
-
SMILES and InChIs
SMILES:
B(CC=C)([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C
Canonical SMILES:
C=CCB([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C
InChI:
InChI=1S/C23H39B/c1-8-9-24(20-12-16-10-18(14(20)2)22(16,4)5)21-13-17-11-19(15(21)3)23(17,6)7/h8,14-21H,1,9-13H2,2-7H3/t14-,15-,16+,17+,18-,19-,20-,21-/m0/s1
InChIKey:
ZIXZBDJFGUIKJS-AXSQLCHVSA-N
-
Cite this record
CBID:140743 http://www.chembase.cn/molecule-140743.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
prop-2-en-1-ylbis[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl]borane
|
|
|
IUPAC Traditional name
|
prop-2-en-1-ylbis[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl]borane
|
|
|
Synonyms
|
(+)-B-Allyldiisopinocampheylborane solution
|
(+)-Ipc2B(allyl)borane solution
|
(+)-B-二异松莰烯基烯丙基硼
|
(+)-Ipc2B(烯丙基)硼烷
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
0
|
H Donor
|
0
|
LogD (pH = 5.5)
|
7.4905
|
LogD (pH = 7.4)
|
7.4905
|
Log P
|
7.4905
|
Molar Refractivity
|
100.001 cm3
|
Polarizability
|
42.03943 Å3
|
Polar Surface Area
|
0.0 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
false
|
DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
678503
|
Application Convenient, salt-free, stable solution of a chiral allyl borane for asymmetric allylation of aldehydes leading to chiral homoallylic alcohols.1,2 General description Material may become hazy upon cooler storage, this will not affect use Packaging 5, 25 mL in ampule |
PATENTS
PATENTS
PubChem Patent
Google Patent