(2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate

C115H226O33 — CID 161362805

About (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-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;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 161362805) has the molecular formula C115H226O33 and a molecular weight of 2137.04 g/mol. Its IUPAC name is (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-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;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• PubChem CID: 161362805
• Molecular Formula: C115H226O33
• Molecular Weight: 2137.04 g/mol
• Exact Mass: 2135.60
• IUPAC Name: (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-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.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1(C)CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)COC.CCC(C)(C)C(=O)OC1CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1CC(C)OC1=O.CCC(C)(C)C(=O)OCC1CCOC1=O.CCC1(C)CC(C)(C)OC1=O.CCC1(C)CCOC1=O
• InChI: InChI=1S/C13H22O5.2C13H22O4.2C12H20O4.2C11H18O4.C9H16O2.C7H12O2.14CH4/c1-6-12(2,3)11(15)17-9-7-10(14)18-13(9,4)8-16-5;1-7-11(2,3)9(14)17-13(6)8-12(4,5)16-10(13)15;1-7-11(2,3)10(15)17-13(6)8-9(14)16-12(13,4)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(3,4)10(13)15-8-6-7(2)14-9(8)12;1-4-11(2,3)10(13)15-7-8-5-6-14-9(8)12;1-5-9(4)6-8(2,3)11-7(9)10;1-3-7(2)4-5-9-6(7)8;;;;;;;;;;;;;;/h9H,6-8H2,1-5H3;2*7-8H2,1-6H3;2*8H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;5-6H2,1-4H3;3-5H2,1-2H3;14*1H4
• InChIKey: VPKFYCRSCACREO-UHFFFAOYSA-N
• XLogP: 26.29
• TPSA: 430.03 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.04
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

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;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-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;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate (CID 161362805) is (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-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;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-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;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-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.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1(C)CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)COC.CCC(C)(C)C(=O)OC1CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1CC(C)OC1=O.CCC(C)(C)C(=O)OCC1CCOC1=O.CCC1(C)CC(C)(C)OC1=O.CCC1(C)CCOC1=O.

What is the InChIKey of (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The InChIKey is VPKFYCRSCACREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5.2C13H22O4.2C12H20O4.2C11H18O4.C9H16O2.C7H12O2.14CH4/c1-6-12(2,3)11(15)17-9-7-10(14)18-13(9,4)8-16-5;1-7-11(2,3)9(14)17-13(6)8-12(4,5)16-10(13)15;1-7-11(2,3)10(15)17-13(6)8-9(14)16-12(13,4)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(3,4)10(13)15-8-6-7(2)14-9(8)12;1-4-11(2,3)10(13)15-7-8-5-6-14-9(8)12;1-5-9(4)6-8(2,3)11-7(9)10;1-3-7(2)4-5-9-6(7)8;;;;;;;;;;;;;;/h9H,6-8H2,1-5H3;2*7-8H2,1-6H3;2*8H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;5-6H2,1-4H3;3-5H2,1-2H3;14*1H4.

What are the key properties of (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-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;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 2137.04 g/mol, XLogP of 26.29, 26 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3,5,5-trimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161362805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).