2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane

C199H228O35 — CID 160863873

IUPAC2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCC(C)(c1ccc(OCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC(C)(c1ccc(OCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC(COC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.CC(OCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.CC(Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)OC(C)OC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1
InChIInChI=1S/C42H50O8.C41H48O8.C41H48O7.C38H42O6.C37H40O6/c1-28(47-29(2)49-37-20-12-33(13-21-37)41(4,5)31-8-16-35(17-9-31)43-24-39-26-45-39)48-30(3)50-38-22-14-34(15-23-38)42(6,7)32-10-18-36(19-11-32)44-25-40-27-46-40;1-28(48-36-19-11-32(12-20-36)40(3,4)30-7-15-34(16-8-30)42-23-38-25-44-38)46-27-47-29(2)49-37-21-13-33(14-22-37)41(5,6)31-9-17-35(18-10-31)43-24-39-26-45-39;1-28(47-36-19-11-32(12-20-36)40(3,4)30-7-15-34(16-8-30)43-24-38-26-45-38)23-42-29(2)48-37-21-13-33(14-22-37)41(5,6)31-9-17-35(18-10-31)44-25-39-27-46-39;1-37(2,29-9-17-33(18-10-29)41-23-35-25-43-35)27-5-13-31(14-6-27)39-21-22-40-32-15-7-28(8-16-32)38(3,4)30-11-19-34(20-12-30)42-24-36-26-44-36;1-36(2,26-5-13-30(14-6-26)38-21-34-23-40-34)28-9-17-32(18-10-28)42-25-43-33-19-11-29(12-20-33)37(3,4)27-7-15-31(16-8-27)39-22-35-24-41-35/h8-23,28-30,39-40H,24-27H2,1-7H3;7-22,28-29,38-39H,23-27H2,1-6H3;7-22,28-29,38-39H,23-27H2,1-6H3;5-20,35-36H,21-26H2,1-4H3;5-20,34-35H,21-25H2,1-4H3
InChIKeySKVQJKGNXYVFCJ-UHFFFAOYSA-N
MW3179.98 g/mol
LogP39.22
Rot. Bonds82

About 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane

2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 160863873) has the molecular formula C199H228O35 and a molecular weight of 3179.98 g/mol. Its IUPAC name is 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
PubChem CID160863873
Molecular FormulaC199H228O35
Molecular Weight3179.98 g/mol
Exact Mass3177.61
IUPAC Name2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCC(C)(c1ccc(OCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC(C)(c1ccc(OCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC(COC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.CC(OCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.CC(Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)OC(C)OC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1
InChIInChI=1S/C42H50O8.C41H48O8.C41H48O7.C38H42O6.C37H40O6/c1-28(47-29(2)49-37-20-12-33(13-21-37)41(4,5)31-8-16-35(17-9-31)43-24-39-26-45-39)48-30(3)50-38-22-14-34(15-23-38)42(6,7)32-10-18-36(19-11-32)44-25-40-27-46-40;1-28(48-36-19-11-32(12-20-36)40(3,4)30-7-15-34(16-8-30)42-23-38-25-44-38)46-27-47-29(2)49-37-21-13-33(14-22-37)41(5,6)31-9-17-35(18-10-31)43-24-39-26-45-39;1-28(47-36-19-11-32(12-20-36)40(3,4)30-7-15-34(16-8-30)43-24-38-26-45-38)23-42-29(2)48-37-21-13-33(14-22-37)41(5,6)31-9-17-35(18-10-31)44-25-39-27-46-39;1-37(2,29-9-17-33(18-10-29)41-23-35-25-43-35)27-5-13-31(14-6-27)39-21-22-40-32-15-7-28(8-16-32)38(3,4)30-11-19-34(20-12-30)42-24-36-26-44-36;1-36(2,26-5-13-30(14-6-26)38-21-34-23-40-34)28-9-17-32(18-10-28)42-25-43-33-19-11-29(12-20-33)37(3,4)27-7-15-31(16-8-27)39-22-35-24-41-35/h8-23,28-30,39-40H,24-27H2,1-7H3;7-22,28-29,38-39H,23-27H2,1-6H3;7-22,28-29,38-39H,23-27H2,1-6H3;5-20,35-36H,21-26H2,1-4H3;5-20,34-35H,21-25H2,1-4H3
InChIKeySKVQJKGNXYVFCJ-UHFFFAOYSA-N
XLogP39.22
TPSA356.05 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds82
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003179.98
LogP ≤ 539.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 160863873) is 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane is CC(C)(c1ccc(OCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC(C)(c1ccc(OCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCC2CO2)cc1.CC(COC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.CC(OCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.CC(Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)OC(C)OC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.
What is the InChIKey of 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is SKVQJKGNXYVFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50O8.C41H48O8.C41H48O7.C38H42O6.C37H40O6/c1-28(47-29(2)49-37-20-12-33(13-21-37)41(4,5)31-8-16-35(17-9-31)43-24-39-26-45-39)48-30(3)50-38-22-14-34(15-23-38)42(6,7)32-10-18-36(19-11-32)44-25-40-27-46-40;1-28(48-36-19-11-32(12-20-36)40(3,4)30-7-15-34(16-8-30)42-23-38-25-44-38)46-27-47-29(2)49-37-21-13-33(14-22-37)41(5,6)31-9-17-35(18-10-31)43-24-39-26-45-39;1-28(47-36-19-11-32(12-20-36)40(3,4)30-7-15-34(16-8-30)43-24-38-26-45-38)23-42-29(2)48-37-21-13-33(14-22-37)41(5,6)31-9-17-35(18-10-31)44-25-39-27-46-39;1-37(2,29-9-17-33(18-10-29)41-23-35-25-43-35)27-5-13-31(14-6-27)39-21-22-40-32-15-7-28(8-16-32)38(3,4)30-11-19-34(20-12-30)42-24-36-26-44-36;1-36(2,26-5-13-30(14-6-26)38-21-34-23-40-34)28-9-17-32(18-10-28)42-25-43-33-19-11-29(12-20-33)37(3,4)27-7-15-31(16-8-27)39-22-35-24-41-35/h8-23,28-30,39-40H,24-27H2,1-7H3;7-22,28-29,38-39H,23-27H2,1-6H3;7-22,28-29,38-39H,23-27H2,1-6H3;5-20,35-36H,21-26H2,1-4H3;5-20,34-35H,21-25H2,1-4H3.
What are the key properties of 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 3179.98 g/mol, XLogP of 39.22, 82 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 160863873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).