Ketcher 08242314182D 1   1.00000     0.00000     0

 13 12  0     0  0            999 V2000
    9.5259   -2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3920   -1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2580   -2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1238   -1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9899   -2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8560   -1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7219   -2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5880   -1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4540   -2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3200   -1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6599   -1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7938   -2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5880   -0.7054    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
  8 13  1  0     0  0
M  END
> <ID>
CHEBI:195617

> <NAME>
dodecan-3-ol

> <DEFINITION>
A secondary alcohol that is dodecane substituted by a hydroxy group at position 3.

> <STAR>
3

> <SYNONYM>
dodecanol-3; 3-hydroxydodecane; 3-dodecanol

> <IUPAC_NAME>
dodecan-3-ol

> <FORMULA>
C12H26O

> <MASS>
186.339

> <MONOISOTOPIC_MASS>
186.19837

> <CHARGE>
0

> <SMILES>
CCCCCCCCCC(O)CC

> <INCHI>
InChI=1S/C12H26O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h12-13H,3-11H2,1-2H3

> <INCHIKEY>
OKDGZLITBCRLLJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
10203-30-2

> <PUBMED_CITATION>
29163375

$$$$