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Chemical ID: 5083851
Chemical ID:
5083851
Name [?]:
13-(1-cyclopent-2-enyl)tridecanoic acid
SMILES [?]:
C1CC(C=C1)CCCCCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:11,12,10,13,9,14,8,15,7,16,5,1,6,4,2,17,3,18,19,20/E:(19,20)/rA:20cCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s1d4;s3;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H32O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7867 |
Area: | 576.889 |
Solvation: | -1.63558 |
Coulombic: | -30.2076 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 280.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.1 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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