Ketcher 10312314452D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
   11.1670   -7.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0323   -7.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9002   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7655   -7.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6332   -7.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4984   -7.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3662   -7.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2314   -7.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0992   -7.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9646   -7.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017   -7.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4364   -7.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5712   -7.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2289   -8.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  1 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  8 14  1  0     0  0
M  END
> <ID>
CHEBI:228133

> <NAME>
1,2-dodecanediol

> <DEFINITION>
A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 2.

> <STAR>
3

> <SYNONYM>
n-dodecane-1,2-diol; 2-hydroxylauryl alcohol; 1,2-dodecylene glycol; 1,2-dihydroxydodecane

> <IUPAC_NAME>
dodecane-1,2-diol

> <FORMULA>
C12H26O2

> <MASS>
202.338

> <MONOISOTOPIC_MASS>
202.19328

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCC(O)CO

> <INCHI>
InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3

> <INCHIKEY>
ZITKDVFRMRXIJQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1119-87-5

> <REAXYS_REGISTRY_NUMBER>
1700179

> <NIST_CHEMISTRY_WEBBOOK>
1119-87-5

> <PUBMED_CITATION>
19820828; 21435649; 2245210; 24831550; 33967172

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