Ketcher 06041915562D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
   16.4570  -20.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5910  -20.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250  -20.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8590  -20.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9930  -20.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1269  -20.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2609  -20.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3949  -20.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6270  -21.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6269  -21.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  6  1  0     0  0
 10  6  1  0     0  0
M  END
> <ID>
CHEBI:143850

> <NAME>
3,3-dimethyloctane

> <DEFINITION>
An alkane that is octane in which the two methylene hydrogens at position 3 have been replaced by methyl groups.

> <STAR>
3

> <SYNONYM>
3,3-dimethyl-octane

> <IUPAC_NAME>
3,3-dimethyloctane

> <FORMULA>
C10H22

> <MASS>
142.286

> <MONOISOTOPIC_MASS>
142.17215

> <CHARGE>
0

> <SMILES>
CCCCCC(CC)(C)C

> <INCHI>
InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3

> <INCHIKEY>
DBULLUBYDONGLT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4110-44-5

> <CHEMIDPLUS>
4110-44-5

> <NIST_CHEMISTRY_WEBBOOK>
4110-44-5

> <PUBMED_CITATION>
25849382; 29998033; 31059388

$$$$