Mrv0541 03121416032D          

  7  6  0  0  0  0            999 V2000
    5.1912   -1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9119   -1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6136   -1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3342   -1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9119   -2.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4804   -1.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6088   -0.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  2  1  0  0  0  0
  4  3  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <ID>
CHEBI:77520

> <NAME>
3-methyl-2-pentanol

> <DEFINITION>
A secondary alcohol that is 3-methylpentane substituted at position 2 by a hydroxy group.

> <STAR>
3

> <SYNONYM>
3-Methyl-4-pentanol; 2-hydroxy-3-methylpentane

> <IUPAC_NAME>
3-methylpentan-2-ol

> <FORMULA>
C6H14O

> <MASS>
102.17480

> <MONOISOTOPIC_MASS>
102.10447

> <CHARGE>
0

> <SMILES>
CCC(C)C(C)O

> <INCHI>
InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3

> <INCHIKEY>
ZXNBBWHRUSXUFZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
565-60-6

> <REAXYS_REGISTRY_NUMBER>
1697047

> <CHEMIDPLUS>
565-60-6

> <NIST_CHEMISTRY_WEBBOOK>
565-60-6

> <WIKIPEDIA_ACCESSION>
3-Methyl-2-pentanol

> <PUBMED_CITATION>
6277548; 6277549; 7216504; 7470400; 8535496

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