Mrv1652306031606582D          

 13 14  0  0  0  0            999 V2000
   -0.5078    4.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2302    0.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1596    3.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9203    2.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    2.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5078    3.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5158    1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0953    2.2606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    1.6794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1753    3.0452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    2.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM013572

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CN(CN2COC(C)C2)CO1

> <INCHI_IDENTIFIER>
InChI=1S/C9H18N2O2/c1-8-3-10(6-12-8)5-11-4-9(2)13-7-11/h8-9H,3-7H2,1-2H3

> <INCHI_KEY>
BNKGKERDFRIJPU-UHFFFAOYSA-N

> <FORMULA>
C9H18N2O2

> <MOLECULAR_WEIGHT>
186.255

> <EXACT_MASS>
186.136827828

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
20.829928082994797

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine

> <ALOGPS_LOGP>
-0.72

> <JCHEM_LOGP>
0.9352659609999996

> <ALOGPS_LOGS>
0.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.441784803569924

> <JCHEM_POLAR_SURFACE_AREA>
24.94

> <JCHEM_REFRACTIVITY>
49.42230000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.57e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine

> <JCHEM_VEBER_RULE>
1

> <NAME>
5-Methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine

> <CAS>
66204-44-2

> <SYNONYMS>
3,3′-methylenebis[5-methyloxazolidine]

$$$$