Ketcher 01051616322D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
   -0.3330   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2651   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9971   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5952   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4612   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4612   -6.1250    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
  2 11  1  0     0  0
 10 12  1  0     0  0
M  END
> <ID>
CHEBI:87138

> <NAME>
9-methyldecan-1-ol

> <DEFINITION>
A fatty alcohol that is decan-1-ol in which one of the hydrogens at position 9 has been replaced by a methyl group.

> <STAR>
3

> <SYNONYM>
JM077; isoundecan-1-ol; 9-methyldecanol

> <IUPAC_NAME>
9-methyldecan-1-ol

> <FORMULA>
C11H24O

> <MASS>
172.308

> <MONOISOTOPIC_MASS>
172.18272

> <CHARGE>
0

> <SMILES>
CC(CCCCCCCCO)C

> <INCHI>
InChI=1S/C11H24O/c1-11(2)9-7-5-3-4-6-8-10-12/h11-12H,3-10H2,1-2H3

> <INCHIKEY>
JTKHUJNVHQWSAY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
55505-28-7

> <REAXYS_REGISTRY_NUMBER>
1736539

> <CHEMIDPLUS>
55505-28-7

> <NIST_CHEMISTRY_WEBBOOK>
55505-28-7

$$$$