Mrv1572004221604302D          

 18 20  0  0  0  0            999 V2000
   -2.8579    7.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    6.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    7.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    9.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283   10.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    6.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    7.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   10.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.4901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    8.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3033   10.7421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
 11  1  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 12  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010190

> <DATABASE_NAME>
chemdb

> <SMILES>
C(OCC1CCC(COCC2CO2)CC1)C1CO1

> <INCHI_IDENTIFIER>
InChI=1S/C14H24O4/c1-2-12(6-16-8-14-10-18-14)4-3-11(1)5-15-7-13-9-17-13/h11-14H,1-10H2

> <INCHI_KEY>
VQMQXWYQIIUJIT-UHFFFAOYSA-N

> <FORMULA>
C14H24O4

> <MOLECULAR_WEIGHT>
256.342

> <EXACT_MASS>
256.167459253

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
29.83230949588459

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{[(4-{[(oxiran-2-yl)methoxy]methyl}cyclohexyl)methoxy]methyl}oxirane

> <ALOGPS_LOGP>
1.79

> <JCHEM_LOGP>
1.4927866533333332

> <ALOGPS_LOGS>
-3.10

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.566582028276424

> <JCHEM_POLAR_SURFACE_AREA>
43.52

> <JCHEM_REFRACTIVITY>
67.39840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.04e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[({4-[(oxiran-2-ylmethoxy)methyl]cyclohexyl}methoxy)methyl]oxirane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Oxirane, 2,2'-[1,4-cyclohexanediylbis(methyleneoxymethylene)]bis-

> <CAS>
14228-73-0

> <SYNONYMS>
2,2'-[Cyclohexane-1,4-diylbis(methanediyloxymethanediyl)]dioxirane; 2-{[(4-{[(oxiran-2-yl)methoxy]methyl}cyclohexyl)methoxy]methyl}oxirane

$$$$