Chemical ID: 6357744

CCCCC(CC)CNC(=O)C1CCCCC1C(=O)O
Chemical ID:
6357744
Name [?]:
2-(2-ethylhexylcarbamoyl)cyclohexane-1-carboxylic acid
SMILES [?]:
CCCCC(CC)CNC(=O)C1CCCCC1C(=O)O
InChi [?]:
InChI=1/C16H29NO3/c1-3-5-8-12(4-2)11-17-15(18)13-9-6-7-10-14(13)16(19)20/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,14,15,4,13,16,8,5,12,17,10,18,9,11,19,20/E:(19,20)/rA:20cCCCCCCCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H29NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:9.57798
Area:504.601
Solvation:-3.03704
Coulombic:-47.6243
Bond Count [?]
All:20
Single:18
Double:2
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:283.406
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.82
LogP (Chemaxon):3.22

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Descriptor Annotations

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