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Chemical ID: 5178705
Chemical ID:
5178705
Name [?]:
5-(1-ethylpropyl)nonan-5-ol
SMILES [?]:
CCCCC(CCCC)(C(CC)CC)O
InChi [?]:
InChI=1/C14H30O/c1-5-9-11-14(15,12-10-6-2)13(7-3)8-4/h13,15H,5-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,12,14,2,8,11,13,3,7,4,6,10,5,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:15nCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s10;s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H30O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88872 |
Area: | 440.173 |
Solvation: | -1.11559 |
Coulombic: | -20.3838 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 214.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.59 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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