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19139-74-3 molecular structure
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[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

ChemBase ID: 130900
Molecular Formular: C11H20O5
Molecular Mass: 232.2735
Monoisotopic Mass: 232.13107374
SMILES and InChIs

SMILES:
CC1(OCC(O1)C1C(OC(O1)(C)C)CO)C
Canonical SMILES:
OCC1OC(OC1C1COC(O1)(C)C)(C)C
InChI:
InChI=1S/C11H20O5/c1-10(2)13-6-8(15-10)9-7(5-12)14-11(3,4)16-9/h7-9,12H,5-6H2,1-4H3
InChIKey:
FBIWGPWXTDOFQR-UHFFFAOYSA-N

Cite this record

CBID:130900 http://www.chembase.cn/molecule-130900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
IUPAC Traditional name
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
Synonyms
D-Arabinitol diacetonide
2,3:4,5-Di-O-isopropylidene-D-arabinitol
CAS Number
19139-74-3
MDL Number
MFCD00063387
PubChem SID
162225178
PubChem CID
3981089

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 3981089 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.582261  H Acceptors
H Donor LogD (pH = 5.5) 0.30516532 
LogD (pH = 7.4) 0.3051653  Log P 0.30516532 
Molar Refractivity 56.8551 cm3 Polarizability 23.012754 Å3
Polar Surface Area 57.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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