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154820-97-0 molecular structure
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4,4,5,5-tetramethyl-2-[(1E)-5-phenylpent-1-en-1-yl]-1,3,2-dioxaborolane

ChemBase ID: 295031
Molecular Formular: C17H25BO2
Molecular Mass: 272.1902
Monoisotopic Mass: 272.19476044
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)/C=C/CCCc1ccccc1
Canonical SMILES:
CC1(C)OB(OC1(C)C)/C=C/CCCc1ccccc1
InChI:
InChI=1S/C17H25BO2/c1-16(2)17(3,4)20-18(19-16)14-10-6-9-13-15-11-7-5-8-12-15/h5,7-8,10-12,14H,6,9,13H2,1-4H3/b14-10+
InChIKey:
HLUHQMVNJDKHRO-GXDHUFHOSA-N

Cite this record

CBID:295031 http://www.chembase.cn/molecule-295031.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4,5,5-tetramethyl-2-[(1E)-5-phenylpent-1-en-1-yl]-1,3,2-dioxaborolane
IUPAC Traditional name
4,4,5,5-tetramethyl-2-[(1E)-5-phenylpent-1-en-1-yl]-1,3,2-dioxaborolane
Synonyms
5-Phenyl-1-pentenylboronic acid pinacol ester
5-苯基-1-戊烯基硼酸频哪醇酯
CAS Number
154820-97-0
MDL Number
MFCD03788752
Beilstein Number
7295229
PubChem SID
180680562
PubChem CID
10945575

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 10945575 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5766  LogD (pH = 7.4) 5.5766 
Log P 5.5766  Molar Refractivity 79.2926 cm3
Polarizability 32.950035 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Refractive Index
1.4980 expand Show data source
TSCA Listed
expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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