(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate

C141H214O48 — CID 159149335

About (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate

(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate (PubChem CID 159149335) has the molecular formula C141H214O48 and a molecular weight of 2677.21 g/mol. Its IUPAC name is (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate.

Molecular Properties

• Compound Name: (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate
• PubChem CID: 159149335
• Molecular Formula: C141H214O48
• Molecular Weight: 2677.21 g/mol
• Exact Mass: 2675.43
• IUPAC Name: (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCC2CC1OC2=O.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1CC2CC1C1C(=O)OCC21.CCC(C)C(=O)OC1CC2CC1C1COC(=O)C21.CCC(C)C(=O)OC1CCC2CC1OC2=O.CCC(C)C(=O)OC1CCOC1=O.CCC(C)C(=O)OC1COC(=O)C1
• InChI: InChI=1S/3C14H20O4.C13H18O4.C13H20O4.C12H18O4.C12H20O4.C11H18O4.2C10H16O4.2C9H14O4/c1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-3-7(2)13(15)18-11-5-8-4-9(11)10-6-17-14(16)12(8)10;1-3-7(2)13(15)18-11-5-8-4-9(11)12-10(8)6-17-14(12)16;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;1-4-13(2,3)12(15)17-9-6-5-8-7-10(9)16-11(8)14;1-3-7(2)11(13)15-9-5-4-8-6-10(9)16-12(8)14;1-5-11(2,3)10(14)16-12(4)6-7-15-9(13)8-12;1-4-8(2)10(13)15-11(3)5-6-14-9(12)7-11;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-3-6(2)9(11)13-7-4-8(10)12-5-7;1-3-6(2)8(10)13-7-4-5-12-9(7)11/h7-11H,4-6H2,1-3H3;2*7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;8-10H,4-7H2,1-3H3;7-10H,3-6H2,1-2H3;5-8H2,1-4H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;2*6-7H,3-5H2,1-2H3
• InChIKey: KJBRTDCWXFPETB-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 631.20 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 36
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2677.21
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate?

The IUPAC name of (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate (CID 159149335) is (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate.

What is the SMILES notation for (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate?

The canonical SMILES for (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate is CCC(C)(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCC2CC1OC2=O.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1CC2CC1C1C(=O)OCC21.CCC(C)C(=O)OC1CC2CC1C1COC(=O)C21.CCC(C)C(=O)OC1CCC2CC1OC2=O.CCC(C)C(=O)OC1CCOC1=O.CCC(C)C(=O)OC1COC(=O)C1.

What is the InChIKey of (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate?

The InChIKey is KJBRTDCWXFPETB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H20O4.C13H18O4.C13H20O4.C12H18O4.C12H20O4.C11H18O4.2C10H16O4.2C9H14O4/c1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-3-7(2)13(15)18-11-5-8-4-9(11)10-6-17-14(16)12(8)10;1-3-7(2)13(15)18-11-5-8-4-9(11)12-10(8)6-17-14(12)16;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;1-4-13(2,3)12(15)17-9-6-5-8-7-10(9)16-11(8)14;1-3-7(2)11(13)15-9-5-4-8-6-10(9)16-12(8)14;1-5-11(2,3)10(14)16-12(4)6-7-15-9(13)8-12;1-4-8(2)10(13)15-11(3)5-6-14-9(12)7-11;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-3-6(2)9(11)13-7-4-8(10)12-5-7;1-3-6(2)8(10)13-7-4-5-12-9(7)11/h7-11H,4-6H2,1-3H3;2*7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;8-10H,4-7H2,1-3H3;7-10H,3-6H2,1-2H3;5-8H2,1-4H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;2*6-7H,3-5H2,1-2H3.

What are the key properties of (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate?

(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate has a molecular weight of 2677.21 g/mol, XLogP of 18.80, 36 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate is sourced from PubChem (CID 159149335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).