Chemical ID: 4559168

CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C
Chemical ID:
4559168
Name [?]:
None
SMILES [?]:
CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C
InChi [?]:
InChI=1/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,17,1,5,4,14,6,13,2,3,15,7,8,9,11,16,12,10/rA:18cCCCCCCCCCOCOCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;s3s8;s9;s2s10;d11;s8;d13;s7s14;d15;s13;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:4
ZAP Information [?]
Total:6.89499
Area:401.902
Solvation:-3.15257
Coulombic:-26.5461
Bond Count [?]
All:20
Single:16
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:246.302
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.09
LogP (Chemaxon):1.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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