Ketcher 08071512582D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   11.1558   -5.1504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0217   -4.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8879   -5.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7539   -4.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6199   -5.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7540   -3.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6200   -3.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0     0  0
  1  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  4  6  1  0     0  0
  6  7  1  0     0  0
M  END
> <ID>
CHEBI:87381

> <NAME>
3-methylpentanol

> <DEFINITION>
A primary alcohol that is pentanol substituted by a methyl group at position 3.

> <STAR>
3

> <SYNONYM>
3-ethylbutanol

> <IUPAC_NAME>
3-methylpentan-1-ol

> <FORMULA>
C6H14O

> <MASS>
102.17480

> <MONOISOTOPIC_MASS>
102.10447

> <CHARGE>
0

> <SMILES>
CCC(C)CCO

> <INCHI>
InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3

> <INCHIKEY>
IWTBVKIGCDZRPL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
589-35-5

> <REAXYS_REGISTRY_NUMBER>
1718979

> <CHEMIDPLUS>
589-35-5

> <NIST_CHEMISTRY_WEBBOOK>
589-35-5

> <PUBMED_CITATION>
20860033; 21341698

$$$$