Chemical ID: 4555883

C1CCC(=C2CCCC(C2=O)CC3CCCC(=C4CCCCC4)C3=O)CC1
Chemical ID:
4555883
Name [?]:
2-cyclohexylidene-6-[(3-cyclohexylidene-2-oxo-cyclohexyl)methyl]cyclohexan-1-one
SMILES [?]:
C1CCC(=C2CCCC(C2=O)CC3CCCC(=C4CCCCC4)C3=O)CC1
InChi [?]:
InChI=1/C25H36O2/c26-24-20(13-7-15-22(24)18-9-3-1-4-10-18)17-21-14-8-16-23(25(21)27)19-11-5-2-6-12-19/h20-21H,1-17H2
InChi Info:
AuxInfo=1/0/N:1,21,2,27,20,22,7,15,3,26,19,23,8,14,6,16,12,4,18,9,13,5,17,10,24,11,25/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)/rA:27cCCCCCCCCCCOCCCCCCCCCCCCCOCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s9;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;s13s17;d24;s4;s1s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H36O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.8315
Area:551.719
Solvation:-1.96146
Coulombic:-18.9103
Bond Count [?]
All:30
Single:26
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:368.552
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.02
LogP (Chemaxon):6.46

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Descriptor Annotations

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