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Chemical ID: 4950069
Chemical ID:
4950069
Name [?]:
undecane-1,11-diol
SMILES [?]:
C(CCCCCO)CCCCCO
InChi [?]:
InChI=1/C11H24O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
InChi Info:
AuxInfo=1/0/N:1,2,8,3,9,4,10,5,11,6,12,7,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:13nCCCCCCOCCCCCO/rB:s1;s2;s3;s4;s5;s6;s1;s8;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H24O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07078 |
Area: | 438.014 |
Solvation: | -2.87957 |
Coulombic: | -35.2099 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 188.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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