Chemical ID: 5162484

CC1=CCC2(C3=C(CC1C2=O)C(=O)CC(C3)(C)C)C
Chemical ID:
5162484
Name [?]:
None
SMILES [?]:
CC1=CCC2(C3=C(CC1C2=O)C(=O)CC(C3)(C)C)C
InChi [?]:
InChI=1/C17H22O2/c1-10-5-6-17(4)13-8-16(2,3)9-14(18)12(13)7-11(10)15(17)19/h5,11H,6-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,3,4,8,16,14,2,9,7,6,12,10,15,5,13,11/E:(2,3)/rA:19cCCCCCCCCCCOCOCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s2s8;s5s9;d10;s7;d12;s12;s14;s6s15;s15;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.88025
Area:417.811
Solvation:-2.56503
Coulombic:-16.6292
Bond Count [?]
All:21
Single:17
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:258.355
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.9
LogP (Chemaxon):3.82

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Descriptor Annotations

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