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Chemical ID: 6658182
Chemical ID:
6658182
Name [?]:
2,6,8-trimethylnonan-4-ol
SMILES [?]:
CC(C)CC(C)CC(CC(C)C)O
InChi [?]:
InChI=1/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,11,12,6,4,9,7,2,10,5,8,13/E:(1,2)(3,4)/rA:13cCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s5;s7;s8;s9;s10;s10;s8;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H26O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.75149 |
Area: | 402.388 |
Solvation: | -1.30822 |
Coulombic: | -19.6651 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 186.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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