(3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate

C56H90O22 — CID 159552011

About (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate

(3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 159552011) has the molecular formula C56H90O22 and a molecular weight of 1115.31 g/mol. Its IUPAC name is (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 159552011
• Molecular Formula: C56H90O22
• Molecular Weight: 1115.31 g/mol
• Exact Mass: 1114.59
• IUPAC Name: (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate
• SMILES: 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)CCOC1=O.CCC(C)C(=O)OC1CCOC1=O.CCC(C)C(=O)OC1COC(=O)C1
• InChI: InChI=1S/C14H22O6.C13H22O4.C11H18O4.2C9H14O4/c1-6-13(2,3)11(16)20-14(4,5)12(17)19-9-7-8-18-10(9)15;1-6-12(2,3)11(15)17-13(4,5)9-7-10(14)16-8-9;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13;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/h9H,6-8H2,1-5H3;9H,6-8H2,1-5H3;5-7H2,1-4H3;2*6-7H,3-5H2,1-2H3
• InChIKey: MFMYJDRNPBTLAR-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 289.30 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.31
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate (CID 159552011) is (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate is 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)CCOC1=O.CCC(C)C(=O)OC1CCOC1=O.CCC(C)C(=O)OC1COC(=O)C1.

What is the InChIKey of (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate?

The InChIKey is MFMYJDRNPBTLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6.C13H22O4.C11H18O4.2C9H14O4/c1-6-13(2,3)11(16)20-14(4,5)12(17)19-9-7-8-18-10(9)15;1-6-12(2,3)11(15)17-13(4,5)9-7-10(14)16-8-9;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13;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/h9H,6-8H2,1-5H3;9H,6-8H2,1-5H3;5-7H2,1-4H3;2*6-7H,3-5H2,1-2H3.

What are the key properties of (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate?

(3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 1115.31 g/mol, XLogP of 7.36, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3-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-methylbutanoate;(5-oxooxolan-3-yl) 2-methylbutanoate;2-(5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 159552011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).