Mrv1652306031609222D          

 24 23  0  0  0  0            999 V2000
  -10.0914    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3770    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6612    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3757    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8046    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2336    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6256    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5191    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0888    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6625    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5191    6.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0888    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6625    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546    6.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0901    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5178    5.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9480    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3401    5.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 13  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21  7  1  0  0  0  0
 21  9  1  0  0  0  0
 22  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 23 15  1  0  0  0  0
 24 12  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012610

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(COCCCCOCC(O)COC(=O)C=C)COC(=O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C16H26O8/c1-3-15(19)23-11-13(17)9-21-7-5-6-8-22-10-14(18)12-24-16(20)4-2/h3-4,13-14,17-18H,1-2,5-12H2

> <INCHI_KEY>
QIPOUSKNIMYTRA-UHFFFAOYSA-N

> <FORMULA>
C16H26O8

> <MOLECULAR_WEIGHT>
346.376

> <EXACT_MASS>
346.162767797

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
36.931921883461655

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-3-{4-[2-hydroxy-3-(prop-2-enoyloxy)propoxy]butoxy}propyl prop-2-enoate

> <ALOGPS_LOGP>
0.33

> <JCHEM_LOGP>
0.8755259299999995

> <ALOGPS_LOGS>
-2.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.95638648179828

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.354326490470317

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3869470729648574

> <JCHEM_POLAR_SURFACE_AREA>
111.52000000000001

> <JCHEM_REFRACTIVITY>
85.674

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.15e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-3-{4-[2-hydroxy-3-(prop-2-enoyloxy)propoxy]butoxy}propyl prop-2-enoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
2-Propenoic acid, 1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)]ester

> <CAS>
52408-42-1

> <SYNONYMS>
1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)] diacrylate

$$$$