[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

C171H254O39 — CID 158582386

IUPAC[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESC=C(C)C(=O)OC1(C2CC3(CO)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC(C)=O)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC)CCC2O3)CCCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(CO)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC(C)=O)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCCC1.CC(C)(OC(=O)C1CC2C=CC1C2)C1CCCO1.CC(C)(OC(=O)C1CC2C=CC1C2)C1CCOC1.CC(C)(OC(=O)C1CC2CC1C1C3C=CC(C3)C21)C1CCCO1
InChIInChI=1S/C20H28O3.2C18H26O5.2C18H28O4.C17H26O4.2C16H24O4.2C15H22O3/c1-20(2,16-4-3-7-22-16)23-19(21)15-10-13-9-14(15)18-12-6-5-11(8-12)17(13)18;1-12(2)16(20)23-18(7-4-5-8-18)14-10-17(11-21-13(3)19)9-6-15(14)22-17;1-12(2)16(20)23-17(7-4-5-8-17)15-10-14-6-9-18(15,22-14)11-21-13(3)19;1-13(2)16(19)22-18(8-5-4-6-9-18)14-11-17(12-20-3)10-7-15(14)21-17;1-13(2)16(19)22-17(8-5-4-6-9-17)15-11-14-7-10-18(15,21-14)12-20-3;1-12(2)15(18)21-17(7-4-5-8-17)13-10-16(11-19-3)9-6-14(13)20-16;1-11(2)14(18)20-16(6-3-4-7-16)12-9-15(10-17)8-5-13(12)19-15;1-11(2)14(18)20-15(6-3-4-7-15)13-9-12-5-8-16(13,10-17)19-12;1-15(2,12-5-6-17-9-12)18-14(16)13-8-10-3-4-11(13)7-10;1-15(2,13-4-3-7-17-13)18-14(16)12-9-10-5-6-11(12)8-10/h5-6,11-18H,3-4,7-10H2,1-2H3;2*14-15H,1,4-11H2,2-3H3;2*14-15H,1,4-12H2,2-3H3;13-14H,1,4-11H2,2-3H3;2*12-13,17H,1,3-10H2,2H3;3-4,10-13H,5-9H2,1-2H3;5-6,10-13H,3-4,7-9H2,1-2H3
InChIKeyHTKIMEWINGMMGZ-UHFFFAOYSA-N
MW2933.87 g/mol
LogP29.16
Rot. Bonds42

About [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (PubChem CID 158582386) has the molecular formula C171H254O39 and a molecular weight of 2933.87 g/mol. Its IUPAC name is [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.

Molecular Properties

Compound Name[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
PubChem CID158582386
Molecular FormulaC171H254O39
Molecular Weight2933.87 g/mol
Exact Mass2931.79
IUPAC Name[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESC=C(C)C(=O)OC1(C2CC3(CO)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC(C)=O)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC)CCC2O3)CCCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(CO)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC(C)=O)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCCC1.CC(C)(OC(=O)C1CC2C=CC1C2)C1CCCO1.CC(C)(OC(=O)C1CC2C=CC1C2)C1CCOC1.CC(C)(OC(=O)C1CC2CC1C1C3C=CC(C3)C21)C1CCCO1
InChIInChI=1S/C20H28O3.2C18H26O5.2C18H28O4.C17H26O4.2C16H24O4.2C15H22O3/c1-20(2,16-4-3-7-22-16)23-19(21)15-10-13-9-14(15)18-12-6-5-11(8-12)17(13)18;1-12(2)16(20)23-18(7-4-5-8-18)14-10-17(11-21-13(3)19)9-6-15(14)22-17;1-12(2)16(20)23-17(7-4-5-8-17)15-10-14-6-9-18(15,22-14)11-21-13(3)19;1-13(2)16(19)22-18(8-5-4-6-9-18)14-11-17(12-20-3)10-7-15(14)21-17;1-13(2)16(19)22-17(8-5-4-6-9-17)15-11-14-7-10-18(15,21-14)12-20-3;1-12(2)15(18)21-17(7-4-5-8-17)13-10-16(11-19-3)9-6-14(13)20-16;1-11(2)14(18)20-16(6-3-4-7-16)12-9-15(10-17)8-5-13(12)19-15;1-11(2)14(18)20-15(6-3-4-7-15)13-9-12-5-8-16(13,10-17)19-12;1-15(2,12-5-6-17-9-12)18-14(16)13-8-10-3-4-11(13)7-10;1-15(2,13-4-3-7-17-13)18-14(16)12-9-10-5-6-11(12)8-10/h5-6,11-18H,3-4,7-10H2,1-2H3;2*14-15H,1,4-11H2,2-3H3;2*14-15H,1,4-12H2,2-3H3;13-14H,1,4-11H2,2-3H3;2*12-13,17H,1,3-10H2,2H3;3-4,10-13H,5-9H2,1-2H3;5-6,10-13H,3-4,7-9H2,1-2H3
InChIKeyHTKIMEWINGMMGZ-UHFFFAOYSA-N
XLogP29.16
TPSA476.05 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds42
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.87
LogP ≤ 529.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The IUPAC name of [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (CID 158582386) is [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.
What is the SMILES notation for [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The canonical SMILES for [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is C=C(C)C(=O)OC1(C2CC3(CO)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC(C)=O)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(COC)CCC2O3)CCCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(CO)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC(C)=O)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCCC1.CC(C)(OC(=O)C1CC2C=CC1C2)C1CCCO1.CC(C)(OC(=O)C1CC2C=CC1C2)C1CCOC1.CC(C)(OC(=O)C1CC2CC1C1C3C=CC(C3)C21)C1CCCO1.
What is the InChIKey of [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The InChIKey is HTKIMEWINGMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3.2C18H26O5.2C18H28O4.C17H26O4.2C16H24O4.2C15H22O3/c1-20(2,16-4-3-7-22-16)23-19(21)15-10-13-9-14(15)18-12-6-5-11(8-12)17(13)18;1-12(2)16(20)23-18(7-4-5-8-18)14-10-17(11-21-13(3)19)9-6-15(14)22-17;1-12(2)16(20)23-17(7-4-5-8-17)15-10-14-6-9-18(15,22-14)11-21-13(3)19;1-13(2)16(19)22-18(8-5-4-6-9-18)14-11-17(12-20-3)10-7-15(14)21-17;1-13(2)16(19)22-17(8-5-4-6-9-17)15-11-14-7-10-18(15,21-14)12-20-3;1-12(2)15(18)21-17(7-4-5-8-17)13-10-16(11-19-3)9-6-14(13)20-16;1-11(2)14(18)20-16(6-3-4-7-16)12-9-15(10-17)8-5-13(12)19-15;1-11(2)14(18)20-15(6-3-4-7-15)13-9-12-5-8-16(13,10-17)19-12;1-15(2,12-5-6-17-9-12)18-14(16)13-8-10-3-4-11(13)7-10;1-15(2,13-4-3-7-17-13)18-14(16)12-9-10-5-6-11(12)8-10/h5-6,11-18H,3-4,7-10H2,1-2H3;2*14-15H,1,4-11H2,2-3H3;2*14-15H,1,4-12H2,2-3H3;13-14H,1,4-11H2,2-3H3;2*12-13,17H,1,3-10H2,2H3;3-4,10-13H,5-9H2,1-2H3;5-6,10-13H,3-4,7-9H2,1-2H3.
What are the key properties of [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate has a molecular weight of 2933.87 g/mol, XLogP of 29.16, 42 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is sourced from PubChem (CID 158582386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).