Chemical ID: 7462290

CC1C2CC3C(C(=CC2OC1=O)C)C(=O)C=C3C
Chemical ID:
7462290
Name [?]:
None
SMILES [?]:
CC1C2CC3C(C(=CC2OC1=O)C)C(=O)C=C3C
InChi [?]:
InChI=1/C15H18O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4-5,9-11,13-14H,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,13,1,16,8,4,17,7,2,5,3,14,9,6,11,15,12,10/rA:18cCCCCCCCCCOCOCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s3s8;s9;s2s10;d11;s7;s6;d14;s14;s5d16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18O3
All Atoms:36
Heavy Atoms:18
Chiral Atoms:5
ZAP Information [?]
Total:6.54113
Area:402.98
Solvation:-3.53336
Coulombic:-26.088
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:1.0
LogP (Chemaxon):2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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