Chemical ID: 5788216

c1ccc(c(c1)C(=O)OC2CCCCC2)C(=O)OC3CCCCC3
Chemical ID:
5788216
Name [?]:
dicyclohexyl benzene-1,2-dicarboxylate
SMILES [?]:
c1ccc(c(c1)C(=O)OC2CCCCC2)C(=O)OC3CCCCC3
InChi [?]:
InChI=1/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChi Info:
AuxInfo=1/0/N:13,22,12,14,21,23,1,2,11,15,20,24,6,3,10,19,5,4,7,16,8,17,9,18/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCCOOCCCCCCCOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s4;d16;s16;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.3461
Area:548.457
Solvation:-2.36531
Coulombic:-41.8869
Bond Count [?]
All:26
Single:21
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:330.418
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.55
LogP (Chemaxon):4.31

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Descriptor Annotations

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