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Chemical ID: 6687447
Chemical ID:
6687447
Name [?]:
2-hydroxyethyl octadecanoate
SMILES [?]:
CCCCCCCCCCCCCCCCCC(=O)OCCO
InChi [?]:
InChI=1/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,22,21,18,23,19,20/rA:23nCCCCCCCCCCCCCCCCCCOOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H40O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9986 |
Area: | 687.988 |
Solvation: | -3.20109 |
Coulombic: | -38.4814 |
Bond Count [?]
All: | 22 |
Single: | 21 |
Double: | 1 |
Rotors: | 19 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 328.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.63 |
LogP (Chemaxon): | 5.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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