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Chemical ID: 6693667
Chemical ID:
6693667
Name [?]:
14-methylhexadecanoic acid
SMILES [?]:
CCC(C)CCCCCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,2,10,11,9,12,8,13,7,14,6,15,5,16,3,17,18,19/E:(18,19)/rA:19cCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H34O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.891 |
Area: | 576.669 |
Solvation: | -1.52571 |
Coulombic: | -29.8956 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 270.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.6 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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