102993
  CDK     0602212310

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.1020   -0.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    0.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6895    0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540   -0.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:173351

> <NAME>
2,4-Dimethyl-1,3-dioxolane

> <STAR>
2

> <IUPAC_NAME>
2,4-dimethyl-1,3-dioxolane

> <FORMULA>
C5H10O2

> <MASS>
102.133

> <MONOISOTOPIC_MASS>
102.06808

> <CHARGE>
0

> <SMILES>
O1C(COC1C)C

> <INCHI>
InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3

> <INCHIKEY>
ROSFUFIOLRQOON-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3390-12-3

> <CHEMIDPLUS>
3390-12-3

$$$$