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1489-97-0 molecular structure
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ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

ChemBase ID: 797738
Molecular Formular: C11H18O4
Molecular Mass: 214.25822
Monoisotopic Mass: 214.12050906
SMILES and InChIs

SMILES:
O1CCOC21CCC(CC2)C(=O)OCC
Canonical SMILES:
CCOC(=O)C1CCC2(CC1)OCCO2
InChI:
InChI=1S/C11H18O4/c1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h9H,2-8H2,1H3
InChIKey:
UXXWGBLTOSRBAY-UHFFFAOYSA-N

Cite this record

CBID:797738 http://www.chembase.cn/molecule-797738.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
IUPAC Traditional name
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
Synonyms
1,4-Dioxa-spiro[4.5]decane-8-carboxylic acid ethyl ester
CAS Number
1489-97-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9687 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9687 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4737811  LogD (pH = 7.4) 1.4737811 
Log P 1.4737811  Molar Refractivity 54.2546 cm3
Polarizability 21.73487 Å3 Polar Surface Area 44.76 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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