Chemical ID: 3966386

CCCCCCCC(=O)OCCOC(=O)CCCCCCC
Chemical ID:
3966386
Name [?]:
2-octanoyloxyethyl octanoate
SMILES [?]:
CCCCCCCC(=O)OCCOC(=O)CCCCCCC
InChi [?]:
InChI=1/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,3,20,4,19,5,18,6,17,7,16,11,12,8,14,9,15,10,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCCOOCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H34O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:12.9887
Area:637.921
Solvation:-2.95935
Coulombic:-38.6931
Bond Count [?]
All:21
Single:19
Double:2
Rotors:17
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:314.46
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.41
LogP (Chemaxon):4.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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