Ketcher 08232309452D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
   11.4124   -8.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2775   -7.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1454   -8.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0105   -7.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8782   -8.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7433   -7.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6110   -7.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4761   -7.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3437   -7.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5471   -7.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4735   -6.4949    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
  1 10  1  0     0  0
  8 11  1  0     0  0
M  END
> <ID>
CHEBI:195600

> <NAME>
decan-2-ol

> <DEFINITION>
A secondary alcohol that is decane substituted by a hydroxy group at position 2.

> <STAR>
3

> <SYNONYM>
methyl-n-octylcarbinol; methyl-n-octyl carbinol; 2-hydroxydecane; 2-decyl alcohol; 2-decanol; 1-methylnonyl alcohol; 1-methyl-1-nonanol

> <IUPAC_NAME>
decan-2-ol

> <FORMULA>
C10H22O

> <MASS>
158.285

> <MONOISOTOPIC_MASS>
158.16707

> <CHARGE>
0

> <SMILES>
CCCCCCCCC(C)O

> <INCHI>
InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3

> <INCHIKEY>
ACUZDYFTRHEKOS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1120-06-5

> <REAXYS_REGISTRY_NUMBER>
1719664

> <NIST_CHEMISTRY_WEBBOOK>
1120-06-5

> <PUBMED_CITATION>
2033592; 27711776; 28423428; 29176679; 29454375; 8158169

$$$$