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Diop

Diop

CAS: 131-20-4

Formula: C24H38O4

SMILES: CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C

IUPAC: 1,2-bis(6-methylheptyl) benzene-1,2-dicarboxylate

InChI: InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3

Composition: C (73.81%), H (9.81%), O (16.39%)

Molar Mass: 390.564

Atom Count: 66

Heavy Atom Count: 28

Properties
Properties
Common Names Diop; corflex 880; flexol plasticizer diop; genomoll 100; hexaplas M/O
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 390.277009704
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IJFPVINAQGWBRJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 114.56
Topological Polar Surface Area 52.6
Polarizability 44.95
Ring Count 1
Rotatable Bond Count 16

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