2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane

C221H324F6N4O39S5 — CID 160591201

IUPAC2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane
SMILESCC(=O)OCC1(C)C(C)OC1c1ccco1.CC(C)C(=O)OCC1OC(c2ccco2)C1(C)C.CC(C)C1OC(c2ccc[nH]2)C1(C)C.CC(C)C1OC(c2ccco2)C1(C)C.CC1(C)C(CCCCCCCC2OC(c3cccs3)C2(C)C)OC1c1cccs1.CC1(C)C(c2ccco2)OC1C1CCCCC1.CC1OC(c2cccs2)C12CCCCC2.CCC1(COCCCOCC2(CC)C(C)OC2c2ccc(C)o2)C(C)OC1c1ccc(C)o1.CCCCCCC1OC(c2cccs2)C1(C(F)(F)F)C(F)(F)F.CCCOCC1OC(c2ccco2)C1(C)C.COC1(OC)C(C)OC1c1ccco1.COC1OC(c2cccs2)C1(C)C.COCCn1cccc1C1OC(C(C)C)C1(C)C.Cc1ccc(C2OCC2(C)COCCCOCCCOCC2(C)COC2c2ccc(C)n2C)n1C
InChIInChI=1S/C28H44N2O5.C27H40O6.C25H36O2S2.C15H18F6OS.C15H25NO2.C15H22O2.C14H20O4.C13H20O3.C13H18OS.C12H19NO.C12H16O4.C12H18O2.C10H14O4.C10H14O2S/c1-21-9-11-23(29(21)5)25-27(3,19-34-25)17-32-15-7-13-31-14-8-16-33-18-28(4)20-35-26(28)24-12-10-22(2)30(24)6;1-7-26(20(5)32-24(26)22-12-10-18(3)30-22)16-28-14-9-15-29-17-27(8-2)21(6)33-25(27)23-13-11-19(4)31-23;1-24(2)20(26-22(24)18-12-10-16-28-18)14-8-6-5-7-9-15-21-25(3,4)23(27-21)19-13-11-17-29-19;1-2-3-4-5-8-11-13(14(16,17)18,15(19,20)21)12(22-11)10-7-6-9-23-10;1-11(2)13-15(3,4)14(18-13)12-7-6-8-16(12)9-10-17-5;1-15(2)13(11-7-4-3-5-8-11)17-14(15)12-9-6-10-16-12;1-9(2)13(15)17-8-11-14(3,4)12(18-11)10-6-5-7-16-10;1-4-7-14-9-11-13(2,3)12(16-11)10-6-5-8-15-10;1-10-13(7-3-2-4-8-13)12(14-10)11-6-5-9-15-11;1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9;1-8-12(3,7-15-9(2)13)11(16-8)10-5-4-6-14-10;1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9;1-7-10(11-2,12-3)9(14-7)8-5-4-6-13-8;1-10(2)8(12-9(10)11-3)7-5-4-6-13-7/h9-12,25-26H,7-8,13-20H2,1-6H3;10-13,20-21,24-25H,7-9,14-17H2,1-6H3;10-13,16-17,20-23H,5-9,14-15H2,1-4H3;6-7,9,11-12H,2-5,8H2,1H3;6-8,11,13-14H,9-10H2,1-5H3;6,9-11,13-14H,3-5,7-8H2,1-2H3;5-7,9,11-12H,8H2,1-4H3;5-6,8,11-12H,4,7,9H2,1-3H3;5-6,9-10,12H,2-4,7-8H2,1H3;5-8,10-11,13H,1-4H3;4-6,8,11H,7H2,1-3H3;5-8,10-11H,1-4H3;4-7,9H,1-3H3;4-6,8-9H,1-3H3
InChIKeyRDAQVNHTHIIPPT-UHFFFAOYSA-N
MW3935.33 g/mol
LogP56.69
Rot. Bonds71

About 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane

2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane (PubChem CID 160591201) has the molecular formula C221H324F6N4O39S5 and a molecular weight of 3935.33 g/mol. Its IUPAC name is 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane
PubChem CID160591201
Molecular FormulaC221H324F6N4O39S5
Molecular Weight3935.33 g/mol
Exact Mass3932.20
IUPAC Name2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane
SMILESCC(=O)OCC1(C)C(C)OC1c1ccco1.CC(C)C(=O)OCC1OC(c2ccco2)C1(C)C.CC(C)C1OC(c2ccc[nH]2)C1(C)C.CC(C)C1OC(c2ccco2)C1(C)C.CC1(C)C(CCCCCCCC2OC(c3cccs3)C2(C)C)OC1c1cccs1.CC1(C)C(c2ccco2)OC1C1CCCCC1.CC1OC(c2cccs2)C12CCCCC2.CCC1(COCCCOCC2(CC)C(C)OC2c2ccc(C)o2)C(C)OC1c1ccc(C)o1.CCCCCCC1OC(c2cccs2)C1(C(F)(F)F)C(F)(F)F.CCCOCC1OC(c2ccco2)C1(C)C.COC1(OC)C(C)OC1c1ccco1.COC1OC(c2cccs2)C1(C)C.COCCn1cccc1C1OC(C(C)C)C1(C)C.Cc1ccc(C2OCC2(C)COCCCOCCCOCC2(C)COC2c2ccc(C)n2C)n1C
InChIInChI=1S/C28H44N2O5.C27H40O6.C25H36O2S2.C15H18F6OS.C15H25NO2.C15H22O2.C14H20O4.C13H20O3.C13H18OS.C12H19NO.C12H16O4.C12H18O2.C10H14O4.C10H14O2S/c1-21-9-11-23(29(21)5)25-27(3,19-34-25)17-32-15-7-13-31-14-8-16-33-18-28(4)20-35-26(28)24-12-10-22(2)30(24)6;1-7-26(20(5)32-24(26)22-12-10-18(3)30-22)16-28-14-9-15-29-17-27(8-2)21(6)33-25(27)23-13-11-19(4)31-23;1-24(2)20(26-22(24)18-12-10-16-28-18)14-8-6-5-7-9-15-21-25(3,4)23(27-21)19-13-11-17-29-19;1-2-3-4-5-8-11-13(14(16,17)18,15(19,20)21)12(22-11)10-7-6-9-23-10;1-11(2)13-15(3,4)14(18-13)12-7-6-8-16(12)9-10-17-5;1-15(2)13(11-7-4-3-5-8-11)17-14(15)12-9-6-10-16-12;1-9(2)13(15)17-8-11-14(3,4)12(18-11)10-6-5-7-16-10;1-4-7-14-9-11-13(2,3)12(16-11)10-6-5-8-15-10;1-10-13(7-3-2-4-8-13)12(14-10)11-6-5-9-15-11;1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9;1-8-12(3,7-15-9(2)13)11(16-8)10-5-4-6-14-10;1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9;1-7-10(11-2,12-3)9(14-7)8-5-4-6-13-8;1-10(2)8(12-9(10)11-3)7-5-4-6-13-7/h9-12,25-26H,7-8,13-20H2,1-6H3;10-13,20-21,24-25H,7-9,14-17H2,1-6H3;10-13,16-17,20-23H,5-9,14-15H2,1-4H3;6-7,9,11-12H,2-5,8H2,1H3;6-8,11,13-14H,9-10H2,1-5H3;6,9-11,13-14H,3-5,7-8H2,1-2H3;5-7,9,11-12H,8H2,1-4H3;5-6,8,11-12H,4,7,9H2,1-3H3;5-6,9-10,12H,2-4,7-8H2,1H3;5-8,10-11,13H,1-4H3;4-6,8,11H,7H2,1-3H3;5-8,10-11H,1-4H3;4-7,9H,1-3H3;4-6,8-9H,1-3H3
InChIKeyRDAQVNHTHIIPPT-UHFFFAOYSA-N
XLogP56.69
TPSA437.51 Ų
H-Bond Donors1
H-Bond Acceptors47
Rotatable Bonds71
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003935.33
LogP ≤ 556.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane?
The IUPAC name of 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane (CID 160591201) is 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane.
What is the SMILES notation for 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane?
The canonical SMILES for 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane is CC(=O)OCC1(C)C(C)OC1c1ccco1.CC(C)C(=O)OCC1OC(c2ccco2)C1(C)C.CC(C)C1OC(c2ccc[nH]2)C1(C)C.CC(C)C1OC(c2ccco2)C1(C)C.CC1(C)C(CCCCCCCC2OC(c3cccs3)C2(C)C)OC1c1cccs1.CC1(C)C(c2ccco2)OC1C1CCCCC1.CC1OC(c2cccs2)C12CCCCC2.CCC1(COCCCOCC2(CC)C(C)OC2c2ccc(C)o2)C(C)OC1c1ccc(C)o1.CCCCCCC1OC(c2cccs2)C1(C(F)(F)F)C(F)(F)F.CCCOCC1OC(c2ccco2)C1(C)C.COC1(OC)C(C)OC1c1ccco1.COC1OC(c2cccs2)C1(C)C.COCCn1cccc1C1OC(C(C)C)C1(C)C.Cc1ccc(C2OCC2(C)COCCCOCCCOCC2(C)COC2c2ccc(C)n2C)n1C.
What is the InChIKey of 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane?
The InChIKey is RDAQVNHTHIIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O5.C27H40O6.C25H36O2S2.C15H18F6OS.C15H25NO2.C15H22O2.C14H20O4.C13H20O3.C13H18OS.C12H19NO.C12H16O4.C12H18O2.C10H14O4.C10H14O2S/c1-21-9-11-23(29(21)5)25-27(3,19-34-25)17-32-15-7-13-31-14-8-16-33-18-28(4)20-35-26(28)24-12-10-22(2)30(24)6;1-7-26(20(5)32-24(26)22-12-10-18(3)30-22)16-28-14-9-15-29-17-27(8-2)21(6)33-25(27)23-13-11-19(4)31-23;1-24(2)20(26-22(24)18-12-10-16-28-18)14-8-6-5-7-9-15-21-25(3,4)23(27-21)19-13-11-17-29-19;1-2-3-4-5-8-11-13(14(16,17)18,15(19,20)21)12(22-11)10-7-6-9-23-10;1-11(2)13-15(3,4)14(18-13)12-7-6-8-16(12)9-10-17-5;1-15(2)13(11-7-4-3-5-8-11)17-14(15)12-9-6-10-16-12;1-9(2)13(15)17-8-11-14(3,4)12(18-11)10-6-5-7-16-10;1-4-7-14-9-11-13(2,3)12(16-11)10-6-5-8-15-10;1-10-13(7-3-2-4-8-13)12(14-10)11-6-5-9-15-11;1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9;1-8-12(3,7-15-9(2)13)11(16-8)10-5-4-6-14-10;1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9;1-7-10(11-2,12-3)9(14-7)8-5-4-6-13-8;1-10(2)8(12-9(10)11-3)7-5-4-6-13-7/h9-12,25-26H,7-8,13-20H2,1-6H3;10-13,20-21,24-25H,7-9,14-17H2,1-6H3;10-13,16-17,20-23H,5-9,14-15H2,1-4H3;6-7,9,11-12H,2-5,8H2,1H3;6-8,11,13-14H,9-10H2,1-5H3;6,9-11,13-14H,3-5,7-8H2,1-2H3;5-7,9,11-12H,8H2,1-4H3;5-6,8,11-12H,4,7,9H2,1-3H3;5-6,9-10,12H,2-4,7-8H2,1H3;5-8,10-11,13H,1-4H3;4-6,8,11H,7H2,1-3H3;5-8,10-11H,1-4H3;4-7,9H,1-3H3;4-6,8-9H,1-3H3.
What are the key properties of 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane?
2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane has a molecular weight of 3935.33 g/mol, XLogP of 56.69, 71 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-3,3-dimethyloxetan-2-yl)furan;2-(3,3-dimethoxy-4-methyloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1-(2-methoxyethyl)pyrrole;2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)-1H-pyrrole;2-[3,3-dimethyl-4-(propoxymethyl)oxetan-2-yl]furan;2-[3-[3-[3-[[2-(1,5-dimethylpyrrol-2-yl)-3-methyloxetan-3-yl]methoxy]propoxy]propoxymethyl]-3-methyloxetan-2-yl]-1,5-dimethylpyrrole;2-[7-(3,3-dimethyl-4-thiophen-2-yloxetan-2-yl)heptyl]-3,3-dimethyl-4-thiophen-2-yloxetane;2-[3-ethyl-3-[3-[[3-ethyl-2-methyl-4-(5-methylfuran-2-yl)oxetan-3-yl]methoxy]propoxymethyl]-4-methyloxetan-2-yl]-5-methylfuran;[2-(furan-2-yl)-3,4-dimethyloxetan-3-yl]methyl acetate;[4-(furan-2-yl)-3,3-dimethyloxetan-2-yl]methyl 2-methylpropanoate;2-hexyl-4-thiophen-2-yl-3,3-bis(trifluoromethyl)oxetane;2-methoxy-3,3-dimethyl-4-thiophen-2-yloxetane;1-methyl-3-thiophen-2-yl-2-oxaspiro[3.5]nonane is sourced from PubChem (CID 160591201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).