Mrv1652306031608182D          

 30 29  0  0  0  0            999 V2000
   -9.3770    5.4138    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
   -5.8046    0.0513    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
    2.7690    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0901    0.4638    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
   -0.0888    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6612    2.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0901    5.4138    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
   -3.6612    3.7638    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
    0.6256    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3757    2.5263    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
   -2.2323    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
   -7.9480    5.4138    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
   -5.0901    1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9480    6.2388    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
   -5.8046    1.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3757    5.0013    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
   -2.9467    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2336    5.0013    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
   -4.3757    1.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  2  0  0  0  0
 24 21  2  0  0  0  0
 25 10  1  0  0  0  0
 25 16  1  0  0  0  0
 26 11  1  0  0  0  0
 26 17  1  0  0  0  0
 27 12  1  0  0  0  0
 27 18  1  0  0  0  0
 28 13  1  0  0  0  0
 28 19  1  0  0  0  0
 29 14  1  0  0  0  0
 29 20  1  0  0  0  0
 30 15  1  0  0  0  0
 30 21  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012611

> <DATABASE_NAME>
chemdb

> <SMILES>
C=CC(=O)OCCCOCC(COCCCOC(=O)C=C)OCCCOC(=O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C21H32O9/c1-4-19(22)28-13-7-10-25-16-18(27-12-9-15-30-21(24)6-3)17-26-11-8-14-29-20(23)5-2/h4-6,18H,1-3,7-17H2

> <INCHI_KEY>
DMQYPVOQAARSNF-UHFFFAOYSA-N

> <FORMULA>
C21H32O9

> <MOLECULAR_WEIGHT>
428.478

> <EXACT_MASS>
428.20463261

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
47.02308683448519

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-({1,3-bis[3-(prop-2-enoyloxy)propoxy]propan-2-yl}oxy)propyl prop-2-enoate

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
2.4921939213333326

> <ALOGPS_LOGS>
-4.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6753261941382784

> <JCHEM_POLAR_SURFACE_AREA>
106.59000000000002

> <JCHEM_REFRACTIVITY>
109.64039999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.26e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-({1,3-bis[3-(prop-2-enoyloxy)propoxy]propan-2-yl}oxy)propyl prop-2-enoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Poly(oxy(methyl-1,2-ethanediyl)), alpha,alpha',alpha''-1,2,3-propanetriyltris(omega-((1-oxo-2-propen-1-yl)oxy)-

> <CAS>
52408-84-1

> <SYNONYMS>
Glycerol, propoxylated, esters with acrylic acid

$$$$