(2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate

C165H328O50 — CID 160858500

About (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate

(2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 160858500) has the molecular formula C165H328O50 and a molecular weight of 3112.39 g/mol. Its IUPAC name is (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• PubChem CID: 160858500
• Molecular Formula: C165H328O50
• Molecular Weight: 3112.39 g/mol
• Exact Mass: 3110.31
• IUPAC Name: (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC(C)(C)C1COC(=O)C1.CCC(C)(C)C(=O)OC1(C)CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1(C)COC(=O)C1.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1CC(C)OC1=O.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1
• InChI: InChI=1S/C14H22O6.2C13H22O4.4C12H20O4.3C11H18O4.2C10H16O4.24CH4/c1-6-13(2,3)11(16)20-14(4,5)12(17)19-9-7-8-18-10(9)15;1-7-11(2,3)9(14)17-13(6)8-12(4,5)16-10(13)15;1-6-12(2,3)11(15)17-13(4,5)9-7-10(14)16-8-9;1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;1-6-11(2,3)10(14)15-8-7-12(4,5)16-9(8)13;1-6-11(2,3)10(14)15-8-7-9(13)16-12(8,4)5;1-5-11(2,3)10(14)16-12(4)6-7-15-9(13)8-12;1-5-10(2,3)9(13)15-11(4)6-8(12)14-7-11;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13;1-5-11(3,4)10(13)15-8-6-7(2)14-9(8)12;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;;;;;;;;;;;;;;;;;;;;;;;;/h9H,6-8H2,1-5H3;7-8H2,1-6H3;9H,6-8H2,1-5H3;3*8H,6-7H2,1-5H3;5-8H2,1-4H3;2*5-7H2,1-4H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;24*1H4
• InChIKey: SKEHVLWOJFPUMB-UHFFFAOYSA-N
• XLogP: 37.30
• TPSA: 657.50 Ų
• H-Bond Acceptors: 50
• Rotatable Bonds: 39
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3112.39
LogP ≤ 5	37.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The IUPAC name of (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate (CID 160858500) is (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate.

What is the SMILES notation for (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The canonical SMILES for (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC(C)(C)C1COC(=O)C1.CCC(C)(C)C(=O)OC1(C)CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1(C)COC(=O)C1.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1CC(C)OC1=O.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1.

What is the InChIKey of (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The InChIKey is SKEHVLWOJFPUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6.2C13H22O4.4C12H20O4.3C11H18O4.2C10H16O4.24CH4/c1-6-13(2,3)11(16)20-14(4,5)12(17)19-9-7-8-18-10(9)15;1-7-11(2,3)9(14)17-13(6)8-12(4,5)16-10(13)15;1-6-12(2,3)11(15)17-13(4,5)9-7-10(14)16-8-9;1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;1-6-11(2,3)10(14)15-8-7-12(4,5)16-9(8)13;1-6-11(2,3)10(14)15-8-7-9(13)16-12(8,4)5;1-5-11(2,3)10(14)16-12(4)6-7-15-9(13)8-12;1-5-10(2,3)9(13)15-11(4)6-8(12)14-7-11;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13;1-5-11(3,4)10(13)15-8-6-7(2)14-9(8)12;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;;;;;;;;;;;;;;;;;;;;;;;;/h9H,6-8H2,1-5H3;7-8H2,1-6H3;9H,6-8H2,1-5H3;3*8H,6-7H2,1-5H3;5-8H2,1-4H3;2*5-7H2,1-4H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;24*1H4.

What are the key properties of (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

(2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 3112.39 g/mol, XLogP of 37.30, 39 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-(2-oxooxolan-3-yl)oxypropan-2-yl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 160858500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).