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Chemical ID: 6693756
Chemical ID:
6693756
Name [?]:
methyl 12-methyltridecanoate
SMILES [?]:
CC(C)CCCCCCCCCCC(=O)OC
InChi [?]:
InChI=1/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,17,8,9,7,10,6,11,5,12,4,13,2,14,15,16/E:(1,2)/rA:17nCCCCCCCCCCCCCCOOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H30O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5387 |
Area: | 525.607 |
Solvation: | -1.60145 |
Coulombic: | -21.1018 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 242.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.43 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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