bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate

C188H284O57S — CID 158069949

IUPACbis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate
SMILESCC12CCC(C(=O)OCCSCCOC(=O)C3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)C(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)COCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COCCOC(=O)C3CC4OC4(C)CC3C(=O)OCCOCC3CCC4(C)OC4C3)CC1O2
InChIInChI=1S/C29H44O9.C22H34O6.C21H32O6.C20H30O7.C20H30O6S.C20H30O6.C19H28O6.C19H30O5.C18H26O6/c1-27-6-4-18(12-22(27)36-27)16-32-8-10-34-25(30)20-14-24-29(3,38-24)15-21(20)26(31)35-11-9-33-17-19-5-7-28(2)23(13-19)37-28;1-21-9-7-15(11-17(21)27-21)13-25-19(23)5-3-4-6-20(24)26-14-16-8-10-22(2)18(12-16)28-22;1-20-8-6-14(10-16(20)26-20)12-24-18(22)4-3-5-19(23)25-13-15-7-9-21(2)17(11-15)27-21;1-19-5-3-13(7-15(19)26-19)9-24-17(21)11-23-12-18(22)25-10-14-4-6-20(2)16(8-14)27-20;1-19-5-3-13(11-15(19)25-19)17(21)23-7-9-27-10-8-24-18(22)14-4-6-20(2)16(12-14)26-20;1-19-7-5-13(9-15(19)25-19)11-23-17(21)3-4-18(22)24-12-14-6-8-20(2)16(10-14)26-20;1-18-5-3-12(7-14(18)24-18)10-22-16(20)9-17(21)23-11-13-4-6-19(2)15(8-13)25-19;1-18-6-3-13(9-15(18)23-18)11-21-8-5-17(20)22-12-14-4-7-19(2)16(10-14)24-19;1-17-5-3-11(7-13(17)23-17)9-21-15(19)16(20)22-10-12-4-6-18(2)14(8-12)24-18/h18-24H,4-17H2,1-3H3;15-18H,3-14H2,1-2H3;14-17H,3-13H2,1-2H3;2*13-16H,3-12H2,1-2H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;13-16H,3-12H2,1-2H3;11-14H,3-10H2,1-2H3
InChIKeyFLRZZOVTKTWCFI-UHFFFAOYSA-N
MW3488.35 g/mol
LogP24.62
Rot. Bonds69

About bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate

bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate (PubChem CID 158069949) has the molecular formula C188H284O57S and a molecular weight of 3488.35 g/mol. Its IUPAC name is bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate.

Molecular Properties

Compound Namebis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate
PubChem CID158069949
Molecular FormulaC188H284O57S
Molecular Weight3488.35 g/mol
Exact Mass3485.90
IUPAC Namebis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate
SMILESCC12CCC(C(=O)OCCSCCOC(=O)C3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)C(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)COCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COCCOC(=O)C3CC4OC4(C)CC3C(=O)OCCOCC3CCC4(C)OC4C3)CC1O2
InChIInChI=1S/C29H44O9.C22H34O6.C21H32O6.C20H30O7.C20H30O6S.C20H30O6.C19H28O6.C19H30O5.C18H26O6/c1-27-6-4-18(12-22(27)36-27)16-32-8-10-34-25(30)20-14-24-29(3,38-24)15-21(20)26(31)35-11-9-33-17-19-5-7-28(2)23(13-19)37-28;1-21-9-7-15(11-17(21)27-21)13-25-19(23)5-3-4-6-20(24)26-14-16-8-10-22(2)18(12-16)28-22;1-20-8-6-14(10-16(20)26-20)12-24-18(22)4-3-5-19(23)25-13-15-7-9-21(2)17(11-15)27-21;1-19-5-3-13(7-15(19)26-19)9-24-17(21)11-23-12-18(22)25-10-14-4-6-20(2)16(8-14)27-20;1-19-5-3-13(11-15(19)25-19)17(21)23-7-9-27-10-8-24-18(22)14-4-6-20(2)16(12-14)26-20;1-19-7-5-13(9-15(19)25-19)11-23-17(21)3-4-18(22)24-12-14-6-8-20(2)16(10-14)26-20;1-18-5-3-12(7-14(18)24-18)10-22-16(20)9-17(21)23-11-13-4-6-19(2)15(8-13)25-19;1-18-6-3-13(9-15(18)23-18)11-21-8-5-17(20)22-12-14-4-7-19(2)16(10-14)24-19;1-17-5-3-11(7-13(17)23-17)9-21-15(19)16(20)22-10-12-4-6-18(2)14(8-12)24-18/h18-24H,4-17H2,1-3H3;15-18H,3-14H2,1-2H3;14-17H,3-13H2,1-2H3;2*13-16H,3-12H2,1-2H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;13-16H,3-12H2,1-2H3;11-14H,3-10H2,1-2H3
InChIKeyFLRZZOVTKTWCFI-UHFFFAOYSA-N
XLogP24.62
TPSA722.09 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds69
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003488.35
LogP ≤ 524.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate?
The IUPAC name of bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate (CID 158069949) is bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate.
What is the SMILES notation for bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate?
The canonical SMILES for bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate is CC12CCC(C(=O)OCCSCCOC(=O)C3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)C(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)CCCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COC(=O)COCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COCCC(=O)OCC3CCC4(C)OC4C3)CC1O2.CC12CCC(COCCOC(=O)C3CC4OC4(C)CC3C(=O)OCCOCC3CCC4(C)OC4C3)CC1O2.
What is the InChIKey of bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate?
The InChIKey is FLRZZOVTKTWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O9.C22H34O6.C21H32O6.C20H30O7.C20H30O6S.C20H30O6.C19H28O6.C19H30O5.C18H26O6/c1-27-6-4-18(12-22(27)36-27)16-32-8-10-34-25(30)20-14-24-29(3,38-24)15-21(20)26(31)35-11-9-33-17-19-5-7-28(2)23(13-19)37-28;1-21-9-7-15(11-17(21)27-21)13-25-19(23)5-3-4-6-20(24)26-14-16-8-10-22(2)18(12-16)28-22;1-20-8-6-14(10-16(20)26-20)12-24-18(22)4-3-5-19(23)25-13-15-7-9-21(2)17(11-15)27-21;1-19-5-3-13(7-15(19)26-19)9-24-17(21)11-23-12-18(22)25-10-14-4-6-20(2)16(8-14)27-20;1-19-5-3-13(11-15(19)25-19)17(21)23-7-9-27-10-8-24-18(22)14-4-6-20(2)16(12-14)26-20;1-19-7-5-13(9-15(19)25-19)11-23-17(21)3-4-18(22)24-12-14-6-8-20(2)16(10-14)26-20;1-18-5-3-12(7-14(18)24-18)10-22-16(20)9-17(21)23-11-13-4-6-19(2)15(8-13)25-19;1-18-6-3-13(9-15(18)23-18)11-21-8-5-17(20)22-12-14-4-7-19(2)16(10-14)24-19;1-17-5-3-11(7-13(17)23-17)9-21-15(19)16(20)22-10-12-4-6-18(2)14(8-12)24-18/h18-24H,4-17H2,1-3H3;15-18H,3-14H2,1-2H3;14-17H,3-13H2,1-2H3;2*13-16H,3-12H2,1-2H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;13-16H,3-12H2,1-2H3;11-14H,3-10H2,1-2H3.
What are the key properties of bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate?
bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate has a molecular weight of 3488.35 g/mol, XLogP of 24.62, 69 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] butanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] oxalate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] pentanedioate;bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate;2-[2-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyethylsulfanyl]ethyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-oxoethoxy]acetate;(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propanoate is sourced from PubChem (CID 158069949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).