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Chemical ID: 5052867
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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