2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate

C244H364O57P2 — CID 159201430

IUPAC2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate
SMILESCC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C.CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C.CCC(C)(OO)OO.CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC.CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1.CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.CCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCC.COC(=O)CCCCC(=O)OC.COC(=O)CCCCCCCCC(=O)OC.COC(=O)c1ccccc1C(=O)OC.Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.O=C(O)c1ccccc1.O=C1OC(=O)c2ccccc21.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.OCCOCCOCCO
InChIInChI=1S/C28H46O4.C26H42O4.C26H50O4.2C24H38O4.C22H34O4.C21H21O4P.C18H15O4P.C12H22O4.C10H10O4.C8H14O4.C8H4O3.C7H6O2.C6H14O4.C4H10O4/c1-5-9-11-13-17-23(7-3)21-31-27(29)25-19-15-16-20-26(25)28(30)32-22-24(8-4)18-14-12-10-6-2;1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4;1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2;1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2;1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4;1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2;1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;1-11-7(9)5-3-4-6-8(10)12-2;9-7-5-3-1-2-4-6(5)8(10)11-7;8-7(9)6-4-2-1-3-5-6;7-1-3-9-5-6-10-4-2-8;1-3-4(2,7-5)8-6/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3;11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3;23-24H,5-22H2,1-4H3;11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;13-16,19-20H,5-12,17-18H2,1-4H3;5-6,13-14,17-18H,7-12,15-16H2,1-4H3;4-15H,1-3H3;1-15H;3-10H2,1-2H3;3-6H,1-2H3;3-6H2,1-2H3;1-4H;1-5H,(H,8,9);7-8H,1-6H2;5-6H,3H2,1-2H3
InChIKeyKPINPYOZOCYQOY-UHFFFAOYSA-N
MW4271.49 g/mol
LogP60.02
Rot. Bonds134

About 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate

2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate (PubChem CID 159201430) has the molecular formula C244H364O57P2 and a molecular weight of 4271.49 g/mol. Its IUPAC name is 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate.

Molecular Properties

Compound Name2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate
PubChem CID159201430
Molecular FormulaC244H364O57P2
Molecular Weight4271.49 g/mol
Exact Mass4268.51
IUPAC Name2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate
SMILESCC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C.CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C.CCC(C)(OO)OO.CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC.CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1.CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.CCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCC.COC(=O)CCCCC(=O)OC.COC(=O)CCCCCCCCC(=O)OC.COC(=O)c1ccccc1C(=O)OC.Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.O=C(O)c1ccccc1.O=C1OC(=O)c2ccccc21.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.OCCOCCOCCO
InChIInChI=1S/C28H46O4.C26H42O4.C26H50O4.2C24H38O4.C22H34O4.C21H21O4P.C18H15O4P.C12H22O4.C10H10O4.C8H14O4.C8H4O3.C7H6O2.C6H14O4.C4H10O4/c1-5-9-11-13-17-23(7-3)21-31-27(29)25-19-15-16-20-26(25)28(30)32-22-24(8-4)18-14-12-10-6-2;1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4;1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2;1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2;1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4;1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2;1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;1-11-7(9)5-3-4-6-8(10)12-2;9-7-5-3-1-2-4-6(5)8(10)11-7;8-7(9)6-4-2-1-3-5-6;7-1-3-9-5-6-10-4-2-8;1-3-4(2,7-5)8-6/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3;11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3;23-24H,5-22H2,1-4H3;11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;13-16,19-20H,5-12,17-18H2,1-4H3;5-6,13-14,17-18H,7-12,15-16H2,1-4H3;4-15H,1-3H3;1-15H;3-10H2,1-2H3;3-6H,1-2H3;3-6H2,1-2H3;1-4H;1-5H,(H,8,9);7-8H,1-6H2;5-6H,3H2,1-2H3
InChIKeyKPINPYOZOCYQOY-UHFFFAOYSA-N
XLogP60.02
TPSA761.43 Ų
H-Bond Donors5
H-Bond Acceptors56
Rotatable Bonds134
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004271.49
LogP ≤ 560.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate with MolForge

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Related Compounds

dimethyl benzene-1,2-dicarboxylate;2-ethylhexyl benzoate;hexyl benzoate;pentyl benzoate;2-phenoxyethanol;2-(2-phenoxyethoxy)ethanol;1-phenoxypropan-2-ol;1-(1-phenoxypropan-2-yloxy)propan-2-ol
CID 163854175
1-O-decyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
CID 3020636
bis(6-methylheptyl) benzene-1,2-dicarboxylate;octyl octadecanoate;hydrate
CID 174922109
benzoic acid;2-ethylhexyl benzoate
CID 90214866
1-O-butyl 3-O-(7-methyloctyl) benzene-1,3-dicarboxylate;1-O-butyl 3-O-(2-propylheptyl) benzene-1,3-dicarboxylate;3-O-(2-ethylhexyl) 1-O-(7-methyloctyl) benzene-1,3-dicarboxylate;1-O-(2-ethylhexyl) 3-O-(2-propylheptyl) benzene-1,3-dicarboxylate;1-O-(7-methyloctyl) 3-O-(2-propylheptyl) benzene-1,3-dicarboxylate
CID 158448860
[6-[5-(2-ethylhexoxy)-5-oxopentoxy]-6-oxohexyl] 6-methylheptanoate
CID 153294113
dimethyl benzene-1,2-dicarboxylate;octadecyl benzoate
CID 69347362
2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]benzoic acid;[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(2-ethylhexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexyl] 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 123950168
2-benzofuran-1,3-dione;[2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate
CID 6455691
dibutyl nonanedioate;dicyclohexyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate;dioctyl benzene-1,3-dicarboxylate;dioctyl hexanedioate;2,2,2-trichloroethyl dihydrogen phosphate;tris(4-methylphenyl) phosphate
CID 174105907
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811

Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate?
The IUPAC name of 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate (CID 159201430) is 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate.
What is the SMILES notation for 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate?
The canonical SMILES for 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate is CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C.CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C.CCC(C)(OO)OO.CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC.CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1.CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.CCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCC.COC(=O)CCCCC(=O)OC.COC(=O)CCCCCCCCC(=O)OC.COC(=O)c1ccccc1C(=O)OC.Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.O=C(O)c1ccccc1.O=C1OC(=O)c2ccccc21.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.OCCOCCOCCO.
What is the InChIKey of 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate?
The InChIKey is KPINPYOZOCYQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O4.C26H42O4.C26H50O4.2C24H38O4.C22H34O4.C21H21O4P.C18H15O4P.C12H22O4.C10H10O4.C8H14O4.C8H4O3.C7H6O2.C6H14O4.C4H10O4/c1-5-9-11-13-17-23(7-3)21-31-27(29)25-19-15-16-20-26(25)28(30)32-22-24(8-4)18-14-12-10-6-2;1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4;1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2;1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2;1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4;1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2;1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;1-11-7(9)5-3-4-6-8(10)12-2;9-7-5-3-1-2-4-6(5)8(10)11-7;8-7(9)6-4-2-1-3-5-6;7-1-3-9-5-6-10-4-2-8;1-3-4(2,7-5)8-6/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3;11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3;23-24H,5-22H2,1-4H3;11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;13-16,19-20H,5-12,17-18H2,1-4H3;5-6,13-14,17-18H,7-12,15-16H2,1-4H3;4-15H,1-3H3;1-15H;3-10H2,1-2H3;3-6H,1-2H3;3-6H2,1-2H3;1-4H;1-5H,(H,8,9);7-8H,1-6H2;5-6H,3H2,1-2H3.
What are the key properties of 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate?
2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate has a molecular weight of 4271.49 g/mol, XLogP of 60.02, 134 rotatable bonds, 5 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1,3-dione;benzoic acid;bis(2-ethylhexyl) benzene-1,2-dicarboxylate;bis(2-ethylhexyl) benzene-1,4-dicarboxylate;bis(2-ethylhexyl) decanedioate;bis(2-ethyloctyl) benzene-1,2-dicarboxylate;bis(5-methylhexyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate;2,2-dihydroperoxybutane;dimethyl benzene-1,2-dicarboxylate;dimethyl decanedioate;dimethyl hexanedioate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;triphenyl phosphate;tris(4-methylphenyl) phosphate is sourced from PubChem (CID 159201430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).