Chemical ID: 3965170

CCCCCC=CCC1C(O1)CCCCCCCC(=O)O
Chemical ID:
3965170
Name [?]:
8-(3-oct-2-enyloxiran-2-yl)octanoic acid
SMILES [?]:
CCCCCC=CCC1C(O1)CCCCCCCC(=O)O
InChi [?]:
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,15,6,14,16,7,13,17,8,12,18,9,10,19,20,21,11/E:(19,20)/rA:21cCCCCCCCCCCOCCCCCCCCOO/rB:s1;s2;s3;s4;s5;w6;s7;s8;s9;s9s10;s10;s12;s13;s14;s15;s16;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H32O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:11.9006
Area:616.187
Solvation:-3.50412
Coulombic:-37.6266
Bond Count [?]
All:21
Single:19
Double:2
Rotors:14
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:296.445
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.88
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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