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33170-72-8 molecular structure
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2-bromo-1,1-dimethoxypropane

ChemBase ID: 64753
Molecular Formular: C5H11BrO2
Molecular Mass: 183.04364
Monoisotopic Mass: 181.99424159
SMILES and InChIs

SMILES:
C(C(OC)OC)(C)Br
Canonical SMILES:
COC(C(Br)C)OC
InChI:
InChI=1S/C5H11BrO2/c1-4(6)5(7-2)8-3/h4-5H,1-3H3
InChIKey:
HFTQXLCZRCQAAX-UHFFFAOYSA-N

Cite this record

CBID:64753 http://www.chembase.cn/molecule-64753.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1,1-dimethoxypropane
IUPAC Traditional name
2-bromo-1,1-dimethoxypropane
Synonyms
2-Bromo-1,1-dimethoxypropane
CAS Number
33170-72-8
MDL Number
MFCD11505877
PubChem SID
162030492
PubChem CID
12293010

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12293010 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6700121  LogD (pH = 7.4) 1.6700121 
Log P 1.6700121  Molar Refractivity 35.5392 cm3
Polarizability 14.219564 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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
92% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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