Ketcher 05072112572D 1   1.00000     0.00000     0

 11 11  0     0  0            999 V2000
   10.0553   -5.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3233   -5.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8320   -1.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3233   -3.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0553   -3.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3233   -2.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0553   -2.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1892   -5.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1892   -4.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1892   -2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465   -1.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  4  1  0     0  0
  7  5  1  0     0  0
  8  1  1  0     0  0
  8  2  1  0     0  0
  9  4  1  0     0  0
  9  5  1  0     0  0
  9  8  1  0     0  0
 10  3  1  0     0  0
 10  6  1  0     0  0
 10  7  1  0     0  0
 11 10  1  0     0  0
M  END
> <ID>
CHEBI:89236

> <NAME>
p-menthan-1-ol

> <DEFINITION>
A p-menthane monoterpenoid that is p-menthane carrying a hydroxy group at position 1.

> <STAR>
3

> <SYNONYM>
4-isopropyl-1-methylcyclohexanol; 1-methyl-4-(propan-2-yl)cyclohexan-1-ol; 1-methyl-4-(isopropyl)cyclohexan-1-ol; 1-methyl-4-(1-methylethyl)cyclohexanol; 1-methyl-4-(1-methylethyl)-cyclohexanol

> <IUPAC_NAME>
1-methyl-4-(propan-2-yl)cyclohexanol

> <FORMULA>
C10H20O

> <MASS>
156.269

> <MONOISOTOPIC_MASS>
156.15142

> <CHARGE>
0

> <SMILES>
CC(C)C1CCC(C)(O)CC1

> <INCHI>
InChI=1S/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3

> <INCHIKEY>
CMLYGGFIXXLYQT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
21129-27-1

> <CHEMIDPLUS>
21129-27-1

> <NIST_CHEMISTRY_WEBBOOK>
21129-27-1

> <AGRICOLA_CITATION>
IND20498307

> <PUBMED_CITATION>
23031195; 23454028; 32834111; 33158110; 33260963; 33918674

$$$$