Chemical ID: 5237231

C1CCC(CC1)CC2CCCCC2C(=O)C3CCCCC3
Chemical ID:
5237231
Name [?]:
cyclohexyl-[2-(cyclohexylmethyl)cyclohexyl]-methanone
SMILES [?]:
C1CCC(CC1)CC2CCCCC2C(=O)C3CCCCC3
InChi [?]:
InChI=1/C20H34O/c21-20(17-11-5-2-6-12-17)19-14-8-7-13-18(19)15-16-9-3-1-4-10-16/h16-19H,1-15H2
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,10,11,3,5,17,21,9,12,7,4,16,8,13,14,15/E:(3,4)(5,6)(9,10)(11,12)/rA:21cCCCCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s8s12;s13;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H34O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:10.8611
Area:490.029
Solvation:-1.38964
Coulombic:-10.7846
Bond Count [?]
All:23
Single:22
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.483
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.05
LogP (Chemaxon):6.27

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Descriptor Annotations

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