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3-[2-(benzyloxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

ChemBase ID: 340291
Molecular Formular: C14H17NO4
Molecular Mass: 263.28908
Monoisotopic Mass: 263.11575803
SMILES and InChIs

SMILES:
N1(C(=O)OC(C1=O)(C)C)CCOCc1ccccc1
Canonical SMILES:
O=C1OC(C(=O)N1CCOCc1ccccc1)(C)C
InChI:
InChI=1S/C14H17NO4/c1-14(2)12(16)15(13(17)19-14)8-9-18-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey:
GHTDMRGDINVZSO-UHFFFAOYSA-N

Cite this record

CBID:340291 http://www.chembase.cn/molecule-340291.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(benzyloxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
IUPAC Traditional name
3-[2-(benzyloxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
Synonyms
3-[2-(benzyloxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13852186 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.181644  LogD (pH = 7.4) 2.181644 
Log P 2.181644  Molar Refractivity 68.8563 cm3
Polarizability 27.023655 Å3 Polar Surface Area 55.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.45  LOG S -3.21 
Polar Surface Area 55.84 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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