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4043-59-8 molecular structure
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1,3-diethoxypropan-2-ol

ChemBase ID: 278060
Molecular Formular: C7H16O3
Molecular Mass: 148.20014
Monoisotopic Mass: 148.10994437
SMILES and InChIs

SMILES:
C(O)(COCC)COCC
Canonical SMILES:
CCOCC(COCC)O
InChI:
InChI=1S/C7H16O3/c1-3-9-5-7(8)6-10-4-2/h7-8H,3-6H2,1-2H3
InChIKey:
WIHIUTUAHOZVLE-UHFFFAOYSA-N

Cite this record

CBID:278060 http://www.chembase.cn/molecule-278060.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-diethoxypropan-2-ol
IUPAC Traditional name
1,3-diethoxypropan-2-ol
Synonyms
Glycerol 1,3-diethyl ether
1,3-Diethoxy-2-propanol
1,3-diethoxypropan-2-ol
1,3-二乙氧基-2-丙醇
CAS Number
4043-59-8
EC Number
223-736-6
MDL Number
MFCD00026934
PubChem SID
164333970
PubChem CID
77664

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 77664 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.68076  H Acceptors
H Donor LogD (pH = 5.5) 0.16085489 
LogD (pH = 7.4) 0.16085467  Log P 0.16085489 
Molar Refractivity 39.5157 cm3 Polarizability 15.65072 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
191-192°C expand Show data source
Density
0.950 expand Show data source
Refractive Index
1.4120 expand Show data source
Hydrophobicity(logP)
0.109 expand Show data source
RTECS
UB1476750 expand Show data source
TSCA Listed
expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
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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