(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate

C133H168O44 — CID 160867803

About (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate

(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate (PubChem CID 160867803) has the molecular formula C133H168O44 and a molecular weight of 2470.76 g/mol. Its IUPAC name is (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
• PubChem CID: 160867803
• Molecular Formula: C133H168O44
• Molecular Weight: 2470.76 g/mol
• Exact Mass: 2469.09
• IUPAC Name: (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C)CCC2CC1(C)OC2=O.C=C(C)C(=O)OC1(C)CCC2CC1OC2=O.C=C(C)C(=O)OC1C2CC3CC2C(=O)OC31C.C=C(C)C(=O)OC1CC2CC1C1C(=O)OCC21.C=C(C)C(=O)OC1CC2CC1C1COC(=O)C21.C=C(C)C(=O)OC1CC2CCC1(C)OC2=O.C=CC(=O)OC1(C)CCC2CC1(C)OC2=O.C=CC(=O)OC1(CC)C2CC3C(=O)OC1C3C2.C=CC(=O)OC1C2OC(=O)C3CC1(C)CC32.C=CC(=O)OC1CCC2CC1OC2=O.C=CC(=O)OC1CCC2CC1OC2=O
• InChI: InChI=1S/4C13H16O4.C13H18O4.C12H14O4.3C12H16O4.2C10H12O4/c1-6(2)11(14)16-10-8-4-7-5-9(8)12(15)17-13(7,10)3;1-6(2)12(14)17-10-4-7-3-8(10)9-5-16-13(15)11(7)9;1-6(2)12(14)17-10-4-7-3-8(10)11-9(7)5-16-13(11)15;1-3-10(14)17-13(4-2)7-5-8-9(6-7)12(15)16-11(8)13;1-8(2)10(14)16-12(3)6-5-9-7-13(12,4)17-11(9)15;1-3-8(13)15-10-9-6-4-12(10,2)5-7(6)11(14)16-9;1-7(2)10(13)16-12(3)5-4-8-6-9(12)15-11(8)14;1-7(2)10(13)15-9-6-8-4-5-12(9,3)16-11(8)14;1-4-9(13)15-11(2)6-5-8-7-12(11,3)16-10(8)14;2*1-2-9(11)13-7-4-3-6-5-8(7)14-10(6)12/h7-10H,1,4-5H2,2-3H3;2*7-11H,1,3-5H2,2H3;3,7-9,11H,1,4-6H2,2H3;9H,1,5-7H2,2-4H3;3,6-7,9-10H,1,4-5H2,2H3;2*8-9H,1,4-6H2,2-3H3;4,8H,1,5-7H2,2-3H3;2*2,6-8H,1,3-5H2
• InChIKey: SLIZDUWYSKAEPE-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 578.60 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2470.76
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate?

The IUPAC name of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate (CID 160867803) is (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate.

What is the SMILES notation for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate?

The canonical SMILES for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCC2CC1(C)OC2=O.C=C(C)C(=O)OC1(C)CCC2CC1OC2=O.C=C(C)C(=O)OC1C2CC3CC2C(=O)OC31C.C=C(C)C(=O)OC1CC2CC1C1C(=O)OCC21.C=C(C)C(=O)OC1CC2CC1C1COC(=O)C21.C=C(C)C(=O)OC1CC2CCC1(C)OC2=O.C=CC(=O)OC1(C)CCC2CC1(C)OC2=O.C=CC(=O)OC1(CC)C2CC3C(=O)OC1C3C2.C=CC(=O)OC1C2OC(=O)C3CC1(C)CC32.C=CC(=O)OC1CCC2CC1OC2=O.C=CC(=O)OC1CCC2CC1OC2=O.

What is the InChIKey of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate?

The InChIKey is SLIZDUWYSKAEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H16O4.C13H18O4.C12H14O4.3C12H16O4.2C10H12O4/c1-6(2)11(14)16-10-8-4-7-5-9(8)12(15)17-13(7,10)3;1-6(2)12(14)17-10-4-7-3-8(10)9-5-16-13(15)11(7)9;1-6(2)12(14)17-10-4-7-3-8(10)11-9(7)5-16-13(11)15;1-3-10(14)17-13(4-2)7-5-8-9(6-7)12(15)16-11(8)13;1-8(2)10(14)16-12(3)6-5-9-7-13(12,4)17-11(9)15;1-3-8(13)15-10-9-6-4-12(10,2)5-7(6)11(14)16-9;1-7(2)10(13)16-12(3)5-4-8-6-9(12)15-11(8)14;1-7(2)10(13)15-9-6-8-4-5-12(9,3)16-11(8)14;1-4-9(13)15-11(2)6-5-8-7-12(11,3)16-10(8)14;2*1-2-9(11)13-7-4-3-6-5-8(7)14-10(6)12/h7-10H,1,4-5H2,2-3H3;2*7-11H,1,3-5H2,2H3;3,7-9,11H,1,4-6H2,2H3;9H,1,5-7H2,2-4H3;3,6-7,9-10H,1,4-5H2,2H3;2*8-9H,1,4-6H2,2-3H3;4,8H,1,5-7H2,2-3H3;2*2,6-8H,1,3-5H2.

What are the key properties of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate?

(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate has a molecular weight of 2470.76 g/mol, XLogP of 14.92, 23 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(2-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;bis((7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 160867803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).