Chemical ID: 5032407

CCC(C)OC(=O)CCCCCCCC(=O)OC(C)CC
Chemical ID:
5032407
Name [?]:
disec-butyl nonanedioate
SMILES [?]:
CCC(C)OC(=O)CCCCCCCC(=O)OC(C)CC
InChi [?]:
InChI=1/C17H32O4/c1-5-14(3)20-16(18)12-10-8-7-9-11-13-17(19)21-15(4)6-2/h14-15H,5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,4,19,2,20,11,10,12,9,13,8,14,3,18,6,15,7,16,5,17/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/rA:21cCCCCOCOCCCCCCCCOOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H32O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:12.1366
Area:593.107
Solvation:-2.69111
Coulombic:-38.0501
Bond Count [?]
All:20
Single:18
Double:2
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:300.434
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.84
LogP (Chemaxon):4.12

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