Chemical ID: 6687447

CCCCCCCCCCCCCCCCCC(=O)OCCO
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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