bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane

C82H106O27S — CID 167550520

IUPACbis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
SMILESCC(C)(C1CCC(OCC2CO2)CC1)C1CCC(OCC2CO2)CC1.O=C(CCC(=O)OCC1CO1)OCC1CO1.O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1.O=C(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.O=S(=O)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C21H36O4.C19H18O5.C18H18O6S.C14H20O6.C10H14O6/c1-21(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;20-19(13-1-5-15(6-2-13)21-9-17-11-23-17)14-3-7-16(8-4-14)22-10-18-12-24-18;19-25(20,17-5-1-13(2-6-17)21-9-15-11-23-15)18-7-3-14(4-8-18)22-10-16-12-24-16;15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10;11-9(15-5-7-3-13-7)1-2-10(12)16-6-8-4-14-8/h15-20H,3-14H2,1-2H3;1-8,17-18H,9-12H2;1-8,15-16H,9-12H2;9-12H,1-8H2;7-8H,1-6H2
InChIKeyCIOOHVDIPMQTIE-UHFFFAOYSA-N
MW1555.79 g/mol
LogP8.84
Rot. Bonds37

About bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane

bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane (PubChem CID 167550520) has the molecular formula C82H106O27S and a molecular weight of 1555.79 g/mol. Its IUPAC name is bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane.

Molecular Properties

Compound Namebis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
PubChem CID167550520
Molecular FormulaC82H106O27S
Molecular Weight1555.79 g/mol
Exact Mass1554.66
IUPAC Namebis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
SMILESCC(C)(C1CCC(OCC2CO2)CC1)C1CCC(OCC2CO2)CC1.O=C(CCC(=O)OCC1CO1)OCC1CO1.O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1.O=C(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.O=S(=O)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C21H36O4.C19H18O5.C18H18O6S.C14H20O6.C10H14O6/c1-21(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;20-19(13-1-5-15(6-2-13)21-9-17-11-23-17)14-3-7-16(8-4-14)22-10-18-12-24-18;19-25(20,17-5-1-13(2-6-17)21-9-15-11-23-15)18-7-3-14(4-8-18)22-10-16-12-24-16;15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10;11-9(15-5-7-3-13-7)1-2-10(12)16-6-8-4-14-8/h15-20H,3-14H2,1-2H3;1-8,17-18H,9-12H2;1-8,15-16H,9-12H2;9-12H,1-8H2;7-8H,1-6H2
InChIKeyCIOOHVDIPMQTIE-UHFFFAOYSA-N
XLogP8.84
TPSA337.09 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001555.79
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane with MolForge

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Related Compounds

2-[[4-(4-tert-butylphenyl)sulfonylphenoxy]methyl]oxirane
CID 22346063
[4-[4-[4-(oxiran-2-ylmethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(oxiran-2-ylmethoxy)benzoate
CID 102025920
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
[4-(oxiran-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 146098594
oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate
CID 89411079
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
CID 159138590
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
2,2-bis[[4-(oxiran-2-ylmethoxy)benzoyl]oxymethyl]butyl 4-(oxiran-2-ylmethoxy)benzoate
CID 102495905
bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;bis(oxiran-2-ylmethyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;2-(2-ethylhexoxymethyl)oxirane;2-ethyloxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 160732118
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
CID 15034748
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964

Frequently Asked Questions

What is the IUPAC name of bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane?
The IUPAC name of bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane (CID 167550520) is bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane.
What is the SMILES notation for bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane?
The canonical SMILES for bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane is CC(C)(C1CCC(OCC2CO2)CC1)C1CCC(OCC2CO2)CC1.O=C(CCC(=O)OCC1CO1)OCC1CO1.O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1.O=C(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.O=S(=O)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane?
The InChIKey is CIOOHVDIPMQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O4.C19H18O5.C18H18O6S.C14H20O6.C10H14O6/c1-21(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;20-19(13-1-5-15(6-2-13)21-9-17-11-23-17)14-3-7-16(8-4-14)22-10-18-12-24-18;19-25(20,17-5-1-13(2-6-17)21-9-15-11-23-15)18-7-3-14(4-8-18)22-10-16-12-24-16;15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10;11-9(15-5-7-3-13-7)1-2-10(12)16-6-8-4-14-8/h15-20H,3-14H2,1-2H3;1-8,17-18H,9-12H2;1-8,15-16H,9-12H2;9-12H,1-8H2;7-8H,1-6H2.
What are the key properties of bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane?
bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane has a molecular weight of 1555.79 g/mol, XLogP of 8.84, 37 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane is sourced from PubChem (CID 167550520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).