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Chemical ID: 6668613
Chemical ID:
6668613
Name [?]:
ethyl 13-(1-cyclopentenyl)tridecanoate
SMILES [?]:
CCOC(=O)CCCCCCCCCCCCC1=CCCC1
InChi [?]:
InChI=1/C20H36O2/c1-2-22-20(21)18-12-10-8-6-4-3-5-7-9-11-15-19-16-13-14-17-19/h16H,2-15,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,14,9,15,8,16,7,20,21,17,19,22,6,18,4,5,3/rA:22nCCOCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H36O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.1487 |
Area: | 631.787 |
Solvation: | -1.64598 |
Coulombic: | -22.0465 |
Bond Count [?]
All: | 22 |
Single: | 20 |
Double: | 2 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 308.499 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.3 |
LogP (Chemaxon): | 5.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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