Chemical ID: 5148673

COC(=O)CCCCCC1CCC(CC1)CCC(=O)OC
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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