4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol

C142H174N2O36 — CID 158276433

About 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol

4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol (PubChem CID 158276433) has the molecular formula C142H174N2O36 and a molecular weight of 2484.93 g/mol. Its IUPAC name is 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol.

Molecular Properties

• Compound Name: 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol
• PubChem CID: 158276433
• Molecular Formula: C142H174N2O36
• Molecular Weight: 2484.93 g/mol
• Exact Mass: 2483.18
• IUPAC Name: 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol
• SMILES: CC(C)(C1CCC(OCC2CO2)CC1)C1CCC(OCC2CO2)CC1.CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.O=C(OCC1CO1)c1ccc(C(=O)OCC2CO2)cc1.OC(COCC1CO1)C(OCC1CO1)C(O)C(COCC1CO1)OCC1CO1.c1cc(Cc2cccc3ccc(OCC4CO4)cc23)c2cc(OCC3CO3)ccc2c1.c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1.c1cc(OCC2CO2)c2ccc(OCC3CO3)cc2c1
• InChI: InChI=1S/C27H24O4.C25H30N2O4.C21H36O4.C21H24O4.C18H30O10.C16H16O4.C14H14O6/c1-3-18-7-9-22(28-14-24-16-30-24)12-26(18)20(5-1)11-21-6-2-4-19-8-10-23(13-27(19)21)29-15-25-17-31-25;1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25;2*1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20;19-15(9-21-1-11-3-23-11)18(28-8-14-6-26-14)17(20)16(27-7-13-5-25-13)10-22-2-12-4-24-12;1-2-11-6-12(17-7-13-8-18-13)4-5-15(11)16(3-1)20-10-14-9-19-14;15-13(19-7-11-5-17-11)9-1-2-10(4-3-9)14(16)20-8-12-6-18-12/h1-10,12-13,24-25H,11,14-17H2;1-8,22-25H,9-17H2;15-20H,3-14H2,1-2H3;3-10,19-20H,11-14H2,1-2H3;11-20H,1-10H2;1-6,13-14H,7-10H2;1-4,11-12H,5-8H2
• InChIKey: GJQWIHFFDQQDBW-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 435.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 65
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2484.93
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol?

The IUPAC name of 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol (CID 158276433) is 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol.

What is the SMILES notation for 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol?

The canonical SMILES for 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol is CC(C)(C1CCC(OCC2CO2)CC1)C1CCC(OCC2CO2)CC1.CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.O=C(OCC1CO1)c1ccc(C(=O)OCC2CO2)cc1.OC(COCC1CO1)C(OCC1CO1)C(O)C(COCC1CO1)OCC1CO1.c1cc(Cc2cccc3ccc(OCC4CO4)cc23)c2cc(OCC3CO3)ccc2c1.c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1.c1cc(OCC2CO2)c2ccc(OCC3CO3)cc2c1.

What is the InChIKey of 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol?

The InChIKey is GJQWIHFFDQQDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4.C25H30N2O4.C21H36O4.C21H24O4.C18H30O10.C16H16O4.C14H14O6/c1-3-18-7-9-22(28-14-24-16-30-24)12-26(18)20(5-1)11-21-6-2-4-19-8-10-23(13-27(19)21)29-15-25-17-31-25;1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25;2*1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20;19-15(9-21-1-11-3-23-11)18(28-8-14-6-26-14)17(20)16(27-7-13-5-25-13)10-22-2-12-4-24-12;1-2-11-6-12(17-7-13-8-18-13)4-5-15(11)16(3-1)20-10-14-9-19-14;15-13(19-7-11-5-17-11)9-1-2-10(4-3-9)14(16)20-8-12-6-18-12/h1-10,12-13,24-25H,11,14-17H2;1-8,22-25H,9-17H2;15-20H,3-14H2,1-2H3;3-10,19-20H,11-14H2,1-2H3;11-20H,1-10H2;1-6,13-14H,7-10H2;1-4,11-12H,5-8H2.

What are the key properties of 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol?

4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol has a molecular weight of 2484.93 g/mol, XLogP of 16.45, 65 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline;bis(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[8-[[7-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]oxirane;2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1,3,5,6-tetrakis(oxiran-2-ylmethoxy)hexane-2,4-diol is sourced from PubChem (CID 158276433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).