Chemical ID: 5154920

CCOC(=O)CC1(CCC2C1C(=O)OC2(C)C)C
Chemical ID:
5154920
Name [?]:
ethyl 2-(2,2,6-trimethyl-4-oxo-3-oxabicyclo[3.3.0]oct-6-yl)acetate
SMILES [?]:
CCOC(=O)CC1(CCC2C1C(=O)OC2(C)C)C
InChi [?]:
InChI=1/C14H22O4/c1-5-17-10(15)8-14(4)7-6-9-11(14)12(16)18-13(9,2)3/h9,11H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,17,18,2,9,8,6,10,4,11,12,15,7,5,13,3,14/E:(2,3)/rA:18cCCOCOCCCCCCCOOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;s10s14;s15;s15;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:3
ZAP Information [?]
Total:7.77607
Area:437.048
Solvation:-3.15013
Coulombic:-35.8558
Bond Count [?]
All:19
Single:17
Double:2
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.322
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.68
LogP (Chemaxon):1.66

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Experimental Annotations

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Descriptor Annotations

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