2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate

C143H228O34 — CID 158940208

IUPAC2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCC(CO)O1.C=C(C)C(=O)OC(C)(C)C1CCC(COC(C)=O)O1.C=C(C)C(=O)OC(C)(C)C1CCC(COC)O1.C=C(C)C(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1.C=C(C)C(=O)OC(c1ccco1)(C1CCCCC1)C1CCCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCCC1.C=CC(=O)OC(C)(C)C1CCC(CO)O1.C=CC(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1
InChIInChI=1S/C21H34O3.C21H30O3.C20H32O3.C16H26O4.C15H24O4.C14H22O5.C13H22O4.C12H20O4.C11H18O4/c2*1-16(2)20(22)24-21(19-14-9-15-23-19,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-2-19(21)23-20(18-14-9-15-22-18,16-10-5-3-6-11-16)17-12-7-4-8-13-17;1-12(2)15(17)20-16(9-5-4-6-10-16)14-8-7-13(19-14)11-18-3;1-11(2)14(16)19-15(8-4-5-9-15)13-7-6-12(18-13)10-17-3;1-9(2)13(16)19-14(4,5)12-7-6-11(18-12)8-17-10(3)15;1-9(2)12(14)17-13(3,4)11-7-6-10(16-11)8-15-5;1-8(2)11(14)16-12(3,4)10-6-5-9(7-13)15-10;1-4-10(13)15-11(2,3)9-6-5-8(7-12)14-9/h17-19H,1,3-15H2,2H3;9,14-15,17-18H,1,3-8,10-13H2,2H3;2,16-18H,1,3-15H2;13-14H,1,4-11H2,2-3H3;12-13H,1,4-10H2,2-3H3;11-12H,1,6-8H2,2-5H3;10-11H,1,6-8H2,2-5H3;9-10,13H,1,5-7H2,2-4H3;4,8-9,12H,1,5-7H2,2-3H3
InChIKeyJKDNZOCOLJHGKL-UHFFFAOYSA-N
MW2491.36 g/mol
LogP27.88
Rot. Bonds43

About 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate

2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate (PubChem CID 158940208) has the molecular formula C143H228O34 and a molecular weight of 2491.36 g/mol. Its IUPAC name is 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate
PubChem CID158940208
Molecular FormulaC143H228O34
Molecular Weight2491.36 g/mol
Exact Mass2489.61
IUPAC Name2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCC(CO)O1.C=C(C)C(=O)OC(C)(C)C1CCC(COC(C)=O)O1.C=C(C)C(=O)OC(C)(C)C1CCC(COC)O1.C=C(C)C(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1.C=C(C)C(=O)OC(c1ccco1)(C1CCCCC1)C1CCCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCCC1.C=CC(=O)OC(C)(C)C1CCC(CO)O1.C=CC(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1
InChIInChI=1S/C21H34O3.C21H30O3.C20H32O3.C16H26O4.C15H24O4.C14H22O5.C13H22O4.C12H20O4.C11H18O4/c2*1-16(2)20(22)24-21(19-14-9-15-23-19,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-2-19(21)23-20(18-14-9-15-22-18,16-10-5-3-6-11-16)17-12-7-4-8-13-17;1-12(2)15(17)20-16(9-5-4-6-10-16)14-8-7-13(19-14)11-18-3;1-11(2)14(16)19-15(8-4-5-9-15)13-7-6-12(18-13)10-17-3;1-9(2)13(16)19-14(4,5)12-7-6-11(18-12)8-17-10(3)15;1-9(2)12(14)17-13(3,4)11-7-6-10(16-11)8-15-5;1-8(2)11(14)16-12(3,4)10-6-5-9(7-13)15-10;1-4-10(13)15-11(2,3)9-6-5-8(7-12)14-9/h17-19H,1,3-15H2,2H3;9,14-15,17-18H,1,3-8,10-13H2,2H3;2,16-18H,1,3-15H2;13-14H,1,4-11H2,2-3H3;12-13H,1,4-10H2,2-3H3;11-12H,1,6-8H2,2-5H3;10-11H,1,6-8H2,2-5H3;9-10,13H,1,5-7H2,2-4H3;4,8-9,12H,1,5-7H2,2-3H3
InChIKeyJKDNZOCOLJHGKL-UHFFFAOYSA-N
XLogP27.88
TPSA418.13 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds43
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002491.36
LogP ≤ 527.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate (CID 158940208) is 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCC(CO)O1.C=C(C)C(=O)OC(C)(C)C1CCC(COC(C)=O)O1.C=C(C)C(=O)OC(C)(C)C1CCC(COC)O1.C=C(C)C(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1.C=C(C)C(=O)OC(c1ccco1)(C1CCCCC1)C1CCCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCCC1.C=CC(=O)OC(C)(C)C1CCC(CO)O1.C=CC(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1.
What is the InChIKey of 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate?
The InChIKey is JKDNZOCOLJHGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O3.C21H30O3.C20H32O3.C16H26O4.C15H24O4.C14H22O5.C13H22O4.C12H20O4.C11H18O4/c2*1-16(2)20(22)24-21(19-14-9-15-23-19,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-2-19(21)23-20(18-14-9-15-22-18,16-10-5-3-6-11-16)17-12-7-4-8-13-17;1-12(2)15(17)20-16(9-5-4-6-10-16)14-8-7-13(19-14)11-18-3;1-11(2)14(16)19-15(8-4-5-9-15)13-7-6-12(18-13)10-17-3;1-9(2)13(16)19-14(4,5)12-7-6-11(18-12)8-17-10(3)15;1-9(2)12(14)17-13(3,4)11-7-6-10(16-11)8-15-5;1-8(2)11(14)16-12(3,4)10-6-5-9(7-13)15-10;1-4-10(13)15-11(2,3)9-6-5-8(7-12)14-9/h17-19H,1,3-15H2,2H3;9,14-15,17-18H,1,3-8,10-13H2,2H3;2,16-18H,1,3-15H2;13-14H,1,4-11H2,2-3H3;12-13H,1,4-10H2,2-3H3;11-12H,1,6-8H2,2-5H3;10-11H,1,6-8H2,2-5H3;9-10,13H,1,5-7H2,2-4H3;4,8-9,12H,1,5-7H2,2-3H3.
What are the key properties of 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate?
2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate has a molecular weight of 2491.36 g/mol, XLogP of 27.88, 43 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 158940208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).