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Chemical ID: 6529608
Chemical ID:
6529608
Name [?]:
dodecane-1,12-diol
SMILES [?]:
C(CCCCCCO)CCCCCO
InChi [?]:
InChI=1/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,2,9,3,10,4,11,5,12,6,13,7,14,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCCCCOCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s1;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H26O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71004 |
Area: | 464.953 |
Solvation: | -2.91379 |
Coulombic: | -35.525 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 202.334 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.64 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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