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36597-49-6 molecular structure
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2-[tris(propan-2-yloxy)methoxy]propane

ChemBase ID: 138483
Molecular Formular: C13H28O4
Molecular Mass: 248.35902
Monoisotopic Mass: 248.19875938
SMILES and InChIs

SMILES:
CC(C)OC(OC(C)C)(OC(C)C)OC(C)C
Canonical SMILES:
CC(OC(OC(C)C)(OC(C)C)OC(C)C)C
InChI:
InChI=1S/C13H28O4/c1-9(2)14-13(15-10(3)4,16-11(5)6)17-12(7)8/h9-12H,1-8H3
InChIKey:
PUAUAWJVTROGJG-UHFFFAOYSA-N

Cite this record

CBID:138483 http://www.chembase.cn/molecule-138483.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[tris(propan-2-yloxy)methoxy]propane
IUPAC Traditional name
2-(triisopropoxymethoxy)propane
Synonyms
Tetraisopropyl orthocarbonate
原碳酸四异丙酯
CAS Number
36597-49-6
MDL Number
MFCD00008878
PubChem SID
162232738
PubChem CID
119025

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
280739 external link Add to cart Please log in.
Data Source Data ID
PubChem 119025 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4081254  LogD (pH = 7.4) 4.4081254 
Log P 4.4081254  Molar Refractivity 68.2366 cm3
Polarizability 27.450409 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C13H28O4 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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