Chemical ID: 5052867

CCC(CC)COC(=O)CCCCCC1CCCCC1
Chemical ID:
5052867
Name [?]:
2-ethylbutyl 6-cyclohexylhexanoate
SMILES [?]:
CCC(CC)COC(=O)CCCCCC1CCCCC1
InChi [?]:
InChI=1/C18H34O2/c1-3-16(4-2)15-20-18(19)14-10-6-9-13-17-11-7-5-8-12-17/h16-17H,3-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,12,17,19,13,11,16,20,14,10,6,3,15,8,9,7/E:(1,2)(3,4)(7,8)(11,12)/rA:20nCCCCCCOCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H34O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:12.5016
Area:555.869
Solvation:-1.3951
Coulombic:-21.8527
Bond Count [?]
All:20
Single:19
Double:1
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:282.461
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.16
LogP (Chemaxon):5.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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