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1607-37-0 molecular structure
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2,2-dimethyl-4-{[(oxiran-2-yl)methoxy]methyl}-1,3-dioxolane

ChemBase ID: 797209
Molecular Formular: C9H16O4
Molecular Mass: 188.22094
Monoisotopic Mass: 188.10485899
SMILES and InChIs

SMILES:
O1C(OC(C1)COCC1CO1)(C)C
Canonical SMILES:
CC1(C)OCC(O1)COCC1OC1
InChI:
InChI=1S/C9H16O4/c1-9(2)12-6-8(13-9)4-10-3-7-5-11-7/h7-8H,3-6H2,1-2H3
InChIKey:
DOUYENKDWOPECR-UHFFFAOYSA-N

Cite this record

CBID:797209 http://www.chembase.cn/molecule-797209.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethyl-4-{[(oxiran-2-yl)methoxy]methyl}-1,3-dioxolane
IUPAC Traditional name
2,2-dimethyl-4-[(oxiran-2-ylmethoxy)methyl]-1,3-dioxolane
Synonyms
4-[(2,3-Epoxypropoxy)Methyl]-2,2-diMethyl-1,3-dioxolane
CAS Number
1607-37-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6298 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3478037  LogD (pH = 7.4) 0.3478037 
Log P 0.3478037  Molar Refractivity 46.219 cm3
Polarizability 18.688192 Å3 Polar Surface Area 40.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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