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27491-86-7 molecular structure
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tris(propan-2-yloxy)silanol

ChemBase ID: 135817
Molecular Formular: C9H22O4Si
Molecular Mass: 222.35408
Monoisotopic Mass: 222.12873572
SMILES and InChIs

SMILES:
CC(C)O[Si](O)(OC(C)C)OC(C)C
Canonical SMILES:
CC(O[Si](OC(C)C)(OC(C)C)O)C
InChI:
InChI=1S/C9H22O4Si/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-10H,1-6H3
InChIKey:
RLYZRADFTORPLZ-UHFFFAOYSA-N

Cite this record

CBID:135817 http://www.chembase.cn/molecule-135817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(propan-2-yloxy)silanol
IUPAC Traditional name
triisopropoxysilanol
Synonyms
Tris(isopropoxy)silanol
三(异丙氧基)硅烷醇
CAS Number
27491-86-7
MDL Number
MFCD09842774
PubChem SID
162230088
PubChem CID
12485644

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
J100028 external link Add to cart Please log in.
Data Source Data ID
PubChem 12485644 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.0114417  H Acceptors
H Donor LogD (pH = 5.5) 1.8365983 
LogD (pH = 7.4) 1.3180623  Log P 1.8497 
Molar Refractivity 51.2075 cm3 Polarizability 22.984987 Å3
Polar Surface Area 47.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
170.6 °F expand Show data source
77 °C expand Show data source
Density
0.940 g/mL at 25 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
≥99.999% metals basis expand Show data source
Linear Formula
[(H3C)2CHO]3SiOH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - J100028 external link
General description
Please inquire for quantity, pricing, and packaging options.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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