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

C112H170O33 — CID 160647016

IUPAC2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 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)OC1(C2CCC(COC)O2)CCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCCC1.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
InChIInChI=1S/C16H26O4.C16H22O4.C15H24O4.C15H20O4.C14H22O5.C13H18O4.C12H20O4.C11H18O4/c2*1-12(2)15(17)20-16(9-5-4-6-10-16)14-8-7-13(19-14)11-18-3;2*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/h13-14H,1,4-11H2,2-3H3;7-8H,1,4-6,9-11H2,2-3H3;12-13H,1,4-10H2,2-3H3;6-7H,1,4-5,8-10H2,2-3H3;11-12H,1,6-8H2,2-5H3;6-7H,1,8H2,2-5H3;9-10,13H,1,5-7H2,2-4H3;4,8-9,12H,1,5-7H2,2-3H3
InChIKeyRJXLMVONNQJLSG-UHFFFAOYSA-N
MW2044.56 g/mol
LogP19.87
Rot. Bonds38

About 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-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-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate (PubChem CID 160647016) has the molecular formula C112H170O33 and a molecular weight of 2044.56 g/mol. Its IUPAC name is 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate
PubChem CID160647016
Molecular FormulaC112H170O33
Molecular Weight2044.56 g/mol
Exact Mass2043.16
IUPAC Name2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 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)OC1(C2CCC(COC)O2)CCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCCC1.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
InChIInChI=1S/C16H26O4.C16H22O4.C15H24O4.C15H20O4.C14H22O5.C13H18O4.C12H20O4.C11H18O4/c2*1-12(2)15(17)20-16(9-5-4-6-10-16)14-8-7-13(19-14)11-18-3;2*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/h13-14H,1,4-11H2,2-3H3;7-8H,1,4-6,9-11H2,2-3H3;12-13H,1,4-10H2,2-3H3;6-7H,1,4-5,8-10H2,2-3H3;11-12H,1,6-8H2,2-5H3;6-7H,1,8H2,2-5H3;9-10,13H,1,5-7H2,2-4H3;4,8-9,12H,1,5-7H2,2-3H3
InChIKeyRJXLMVONNQJLSG-UHFFFAOYSA-N
XLogP19.87
TPSA408.88 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002044.56
LogP ≤ 519.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

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;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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 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;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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate (CID 160647016) is 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 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)OC1(C2CCC(COC)O2)CCCC1.C=C(C)C(=O)OC1(C2CCC(COC)O2)CCCCC1.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.
What is the InChIKey of 2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate?
The InChIKey is RJXLMVONNQJLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4.C16H22O4.C15H24O4.C15H20O4.C14H22O5.C13H18O4.C12H20O4.C11H18O4/c2*1-12(2)15(17)20-16(9-5-4-6-10-16)14-8-7-13(19-14)11-18-3;2*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/h13-14H,1,4-11H2,2-3H3;7-8H,1,4-6,9-11H2,2-3H3;12-13H,1,4-10H2,2-3H3;6-7H,1,4-5,8-10H2,2-3H3;11-12H,1,6-8H2,2-5H3;6-7H,1,8H2,2-5H3;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;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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-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-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate has a molecular weight of 2044.56 g/mol, XLogP of 19.87, 38 rotatable bonds, 2 hydrogen bond donors, and 33 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;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)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 160647016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).