Mrv1572004251602352D          

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M  END
> <DATABASE_ID>
CHEM021134

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-25(27)29-23-24-30-26(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

> <INCHI_KEY>
ZVUNTIMPQCQCAQ-UHFFFAOYSA-N

> <FORMULA>
C26H50O4

> <MOLECULAR_WEIGHT>
426.682

> <EXACT_MASS>
426.37091009

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
56.209823117681665

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(dodecanoyloxy)ethyl dodecanoate

> <ALOGPS_LOGP>
8.96

> <JCHEM_LOGP>
9.076879404

> <ALOGPS_LOGS>
-7.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.736794489374177

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
124.92839999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.93e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(dodecanoyloxy)ethyl dodecanoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
PEG-4 dilaurate

$$$$