tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane

C153H183N5O32 — CID 161013370

About tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane

tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane (PubChem CID 161013370) has the molecular formula C153H183N5O32 and a molecular weight of 2604.15 g/mol. Its IUPAC name is tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane.

Molecular Properties

• Compound Name: tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane
• PubChem CID: 161013370
• Molecular Formula: C153H183N5O32
• Molecular Weight: 2604.15 g/mol
• Exact Mass: 2602.28
• IUPAC Name: tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane
• SMILES: CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)(C)c5ccc(OCC6CO6)cc5)cc4)cc3)cc2)cc1.CC(C)(c1ccc(OCCOCC2CO2)cc1)c1ccc(OCC2CO2)cc1.CCC.CCC.CCC(COC(=O)Nc1cccc(CC(=O)OCC2CO2)c1C)(COC(=O)Nc1cccc(NC(=O)OCC2CO2)c1C)COC(=O)Nc1cccc(NC(=O)OCC2CO2)c1C.Cc1ccccc1OCC1CO1.Cc1ccccc1OCC1CO1.Cc1ccccc1OCC1CO1
• InChI: InChI=1S/C51H52O6.C43H51N5O15.C23H28O5.3C10H12O2.2C3H8/c1-49(2,35-7-19-41(20-8-35)52-31-47-33-54-47)37-11-23-43(24-12-37)56-45-27-15-39(16-28-45)51(5,6)40-17-29-46(30-18-40)57-44-25-13-38(14-26-44)50(3,4)36-9-21-42(22-10-36)53-32-48-34-55-48;1-5-43(22-61-40(52)44-32-10-6-9-28(25(32)2)15-37(49)58-19-29-16-55-29,23-62-41(53)47-35-13-7-11-33(26(35)3)45-38(50)59-20-30-17-56-30)24-63-42(54)48-36-14-8-12-34(27(36)4)46-39(51)60-21-31-18-57-31;1-23(2,18-5-9-20(10-6-18)26-15-22-16-28-22)17-3-7-19(8-4-17)25-12-11-24-13-21-14-27-21;3*1-8-4-2-3-5-10(8)12-7-9-6-11-9;2*1-3-2/h7-30,47-48H,31-34H2,1-6H3;6-14,29-31H,5,15-24H2,1-4H3,(H,44,52)(H,45,50)(H,46,51)(H,47,53)(H,48,54);3-10,21-22H,11-16H2,1-2H3;3*2-5,9H,6-7H2,1H3;2*3H2,1-2H3
• InChIKey: TXKCDWGICWTTDM-UHFFFAOYSA-N
• XLogP: 29.97
• TPSA: 435.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 56
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2604.15
LogP ≤ 5	29.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane?

The IUPAC name of tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane (CID 161013370) is tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane.

What is the SMILES notation for tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane?

The canonical SMILES for tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane is CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)(C)c5ccc(OCC6CO6)cc5)cc4)cc3)cc2)cc1.CC(C)(c1ccc(OCCOCC2CO2)cc1)c1ccc(OCC2CO2)cc1.CCC.CCC.CCC(COC(=O)Nc1cccc(CC(=O)OCC2CO2)c1C)(COC(=O)Nc1cccc(NC(=O)OCC2CO2)c1C)COC(=O)Nc1cccc(NC(=O)OCC2CO2)c1C.Cc1ccccc1OCC1CO1.Cc1ccccc1OCC1CO1.Cc1ccccc1OCC1CO1.

What is the InChIKey of tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane?

The InChIKey is TXKCDWGICWTTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52O6.C43H51N5O15.C23H28O5.3C10H12O2.2C3H8/c1-49(2,35-7-19-41(20-8-35)52-31-47-33-54-47)37-11-23-43(24-12-37)56-45-27-15-39(16-28-45)51(5,6)40-17-29-46(30-18-40)57-44-25-13-38(14-26-44)50(3,4)36-9-21-42(22-10-36)53-32-48-34-55-48;1-5-43(22-61-40(52)44-32-10-6-9-28(25(32)2)15-37(49)58-19-29-16-55-29,23-62-41(53)47-35-13-7-11-33(26(35)3)45-38(50)59-20-30-17-56-30)24-63-42(54)48-36-14-8-12-34(27(36)4)46-39(51)60-21-31-18-57-31;1-23(2,18-5-9-20(10-6-18)26-15-22-16-28-22)17-3-7-19(8-4-17)25-12-11-24-13-21-14-27-21;3*1-8-4-2-3-5-10(8)12-7-9-6-11-9;2*1-3-2/h7-30,47-48H,31-34H2,1-6H3;6-14,29-31H,5,15-24H2,1-4H3,(H,44,52)(H,45,50)(H,46,51)(H,47,53)(H,48,54);3-10,21-22H,11-16H2,1-2H3;3*2-5,9H,6-7H2,1H3;2*3H2,1-2H3.

What are the key properties of tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane?

tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane has a molecular weight of 2604.15 g/mol, XLogP of 29.97, 56 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-[(2-methylphenoxy)methyl]oxirane);2-[[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[4-[2-[4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;oxiran-2-ylmethyl 2-[3-[2,2-bis[[2-methyl-3-(oxiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]acetate;propane is sourced from PubChem (CID 161013370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).