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Chemical ID: 3965170
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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