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Chemical ID: 5232124
Chemical ID:
5232124
Name [?]:
methyl 13-(1-cyclopent-2-enyl)tridec-6-enoate
SMILES [?]:
COC(=O)CCCCC=CCCCCCCC1CCC=C1
InChi [?]:
InChI=1/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,8,14,7,15,6,20,19,16,21,18,5,17,3,4,2/rA:21cCOCOCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;w9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0566 |
Area: | 596.012 |
Solvation: | -1.84366 |
Coulombic: | -22.7609 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 292.456 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.9 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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