2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate

C188H294O43 — CID 162215512

IUPAC2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2(CO)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(CO)O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(COC(C)=O)O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(COC)O2.C=C(C)C(=O)OC(CC)(CC)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(CC)(CC)C1CC2CCC1(COC)O2.C=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2O3)CCCCC1.C=CC(=O)OC1(C2CC3CCC2O3)CCCCC1
InChIInChI=1S/C17H26O4.C17H28O4.C17H26O3.C17H28O3.C16H24O5.C16H24O3.C15H24O4.C15H22O3.2C15H24O3.2C14H22O4/c1-12(2)15(18)21-16(7-4-5-8-16)14-10-13-6-9-17(14,20-13)11-19-3;1-6-16(7-2,21-15(18)12(3)4)14-10-13-8-9-17(14,20-13)11-19-5;1-4-16-10-7-14(19-16)13(11-16)17(8-5-6-9-17)20-15(18)12(2)3;1-6-16-10-9-14(19-16)13(11-16)17(7-2,8-3)20-15(18)12(4)5;1-10(2)14(18)21-15(4,5)13-8-12-6-7-16(13,20-12)9-19-11(3)17;1-11(2)15(17)19-16(8-4-3-5-9-16)13-10-12-6-7-14(13)18-12;1-10(2)13(16)19-14(3,4)12-8-11-6-7-15(12,18-11)9-17-5;1-2-14(16)18-15(8-4-3-5-9-15)12-10-11-6-7-13(12)17-11;2*1-6-15-8-7-12(17-15)11(9-15)14(4,5)18-13(16)10(2)3;1-9(2)12(16)18-13(3,4)10-7-14(8-15)6-5-11(10)17-14;1-9(2)12(16)18-13(3,4)11-7-10-5-6-14(11,8-15)17-10/h13-14H,1,4-11H2,2-3H3;13-14H,3,6-11H2,1-2,4-5H3;13-14H,2,4-11H2,1,3H3;13-14H,4,6-11H2,1-3,5H3;12-13H,1,6-9H2,2-5H3;12-14H,1,3-10H2,2H3;11-12H,1,6-9H2,2-5H3;2,11-13H,1,3-10H2;2*11-12H,2,6-9H2,1,3-5H3;2*10-11,15H,1,5-8H2,2-4H3
InChIKeyZTKGXXRCUPXWAC-UHFFFAOYSA-N
MW3242.38 g/mol
LogP35.34
Rot. Bonds54

About 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate

2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate (PubChem CID 162215512) has the molecular formula C188H294O43 and a molecular weight of 3242.38 g/mol. Its IUPAC name is 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate
PubChem CID162215512
Molecular FormulaC188H294O43
Molecular Weight3242.38 g/mol
Exact Mass3240.08
IUPAC Name2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2(CO)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(CO)O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(COC(C)=O)O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(COC)O2.C=C(C)C(=O)OC(CC)(CC)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(CC)(CC)C1CC2CCC1(COC)O2.C=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2O3)CCCCC1.C=CC(=O)OC1(C2CC3CCC2O3)CCCCC1
InChIInChI=1S/C17H26O4.C17H28O4.C17H26O3.C17H28O3.C16H24O5.C16H24O3.C15H24O4.C15H22O3.2C15H24O3.2C14H22O4/c1-12(2)15(18)21-16(7-4-5-8-16)14-10-13-6-9-17(14,20-13)11-19-3;1-6-16(7-2,21-15(18)12(3)4)14-10-13-8-9-17(14,20-13)11-19-5;1-4-16-10-7-14(19-16)13(11-16)17(8-5-6-9-17)20-15(18)12(2)3;1-6-16-10-9-14(19-16)13(11-16)17(7-2,8-3)20-15(18)12(4)5;1-10(2)14(18)21-15(4,5)13-8-12-6-7-16(13,20-12)9-19-11(3)17;1-11(2)15(17)19-16(8-4-3-5-9-16)13-10-12-6-7-14(13)18-12;1-10(2)13(16)19-14(3,4)12-8-11-6-7-15(12,18-11)9-17-5;1-2-14(16)18-15(8-4-3-5-9-15)12-10-11-6-7-13(12)17-11;2*1-6-15-8-7-12(17-15)11(9-15)14(4,5)18-13(16)10(2)3;1-9(2)12(16)18-13(3,4)10-7-14(8-15)6-5-11(10)17-14;1-9(2)12(16)18-13(3,4)11-7-10-5-6-14(11,8-15)17-10/h13-14H,1,4-11H2,2-3H3;13-14H,3,6-11H2,1-2,4-5H3;13-14H,2,4-11H2,1,3H3;13-14H,4,6-11H2,1-3,5H3;12-13H,1,6-9H2,2-5H3;12-14H,1,3-10H2,2H3;11-12H,1,6-9H2,2-5H3;2,11-13H,1,3-10H2;2*11-12H,2,6-9H2,1,3-5H3;2*10-11,15H,1,5-8H2,2-4H3
InChIKeyZTKGXXRCUPXWAC-UHFFFAOYSA-N
XLogP35.34
TPSA520.81 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds54
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003242.38
LogP ≤ 535.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate?
The IUPAC name of 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate (CID 162215512) is 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate.
What is the SMILES notation for 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate?
The canonical SMILES for 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2(CO)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(CO)O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(COC(C)=O)O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(COC)O2.C=C(C)C(=O)OC(CC)(CC)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(CC)(CC)C1CC2CCC1(COC)O2.C=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2O3)CCCCC1.C=CC(=O)OC1(C2CC3CCC2O3)CCCCC1.
What is the InChIKey of 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate?
The InChIKey is ZTKGXXRCUPXWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4.C17H28O4.C17H26O3.C17H28O3.C16H24O5.C16H24O3.C15H24O4.C15H22O3.2C15H24O3.2C14H22O4/c1-12(2)15(18)21-16(7-4-5-8-16)14-10-13-6-9-17(14,20-13)11-19-3;1-6-16(7-2,21-15(18)12(3)4)14-10-13-8-9-17(14,20-13)11-19-5;1-4-16-10-7-14(19-16)13(11-16)17(8-5-6-9-17)20-15(18)12(2)3;1-6-16-10-9-14(19-16)13(11-16)17(7-2,8-3)20-15(18)12(4)5;1-10(2)14(18)21-15(4,5)13-8-12-6-7-16(13,20-12)9-19-11(3)17;1-11(2)15(17)19-16(8-4-3-5-9-16)13-10-12-6-7-14(13)18-12;1-10(2)13(16)19-14(3,4)12-8-11-6-7-15(12,18-11)9-17-5;1-2-14(16)18-15(8-4-3-5-9-15)12-10-11-6-7-13(12)17-11;2*1-6-15-8-7-12(17-15)11(9-15)14(4,5)18-13(16)10(2)3;1-9(2)12(16)18-13(3,4)10-7-14(8-15)6-5-11(10)17-14;1-9(2)12(16)18-13(3,4)11-7-10-5-6-14(11,8-15)17-10/h13-14H,1,4-11H2,2-3H3;13-14H,3,6-11H2,1-2,4-5H3;13-14H,2,4-11H2,1,3H3;13-14H,4,6-11H2,1-3,5H3;12-13H,1,6-9H2,2-5H3;12-14H,1,3-10H2,2H3;11-12H,1,6-9H2,2-5H3;2,11-13H,1,3-10H2;2*11-12H,2,6-9H2,1,3-5H3;2*10-11,15H,1,5-8H2,2-4H3.
What are the key properties of 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate?
2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate has a molecular weight of 3242.38 g/mol, XLogP of 35.34, 54 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;bis(2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate);2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate is sourced from PubChem (CID 162215512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).