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Chemical ID: 5148673
Chemical ID:
5148673
Name [?]:
methyl 6-[4-(2-methoxycarbonylethyl)cyclohexyl]hexanoate
SMILES [?]:
COC(=O)CCCCCC1CCC(CC1)CCC(=O)OC
InChi [?]:
InChI=1/C17H30O4/c1-20-16(18)7-5-3-4-6-14-8-10-15(11-9-14)12-13-17(19)21-2/h14-15H,3-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,7,8,6,9,5,11,15,12,14,16,17,10,13,3,18,4,19,2,20/E:(8,9)(10,11)/rA:21nCOCOCCCCCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H30O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0503 |
Area: | 564.73 |
Solvation: | -3.06796 |
Coulombic: | -37.4563 |
Bond Count [?]
All: | 21 |
Single: | 19 |
Double: | 2 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 298.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.31 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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