(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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

C74H124O26 — CID 159742669

About (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 159742669) has the molecular formula C74H124O26 and a molecular weight of 1429.78 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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: (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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: 159742669
• Molecular Formula: C74H124O26
• Molecular Weight: 1429.78 g/mol
• Exact Mass: 1428.84
• IUPAC Name: (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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: CCC(C)(C)C(=O)OC(C)(C)C1COC(=O)C1.CCC(C)(C)C(=O)OC(C)(C)OC1CCOC1=O.CCC(C)(C)C(=O)OC1(C)CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1C(=O)OC(C)(C)C1O.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C
• InChI: InChI=1S/C13H22O5.2C13H22O4.C12H20O5.C12H20O4.C11H18O4/c1-6-12(2,3)11(15)18-13(4,5)17-9-7-8-16-10(9)14;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(15)16-7-8(13)12(4,5)17-9(7)14;1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13/h9H,6-8H2,1-5H3;7-8H2,1-6H3;9H,6-8H2,1-5H3;7-8,13H,6H2,1-5H3;8H,6-7H2,1-5H3;5-7H2,1-4H3
• InChIKey: NCQRNQXOVKMFJO-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 345.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.78
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 159742669) is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 CCC(C)(C)C(=O)OC(C)(C)C1COC(=O)C1.CCC(C)(C)C(=O)OC(C)(C)OC1CCOC1=O.CCC(C)(C)C(=O)OC1(C)CC(C)(C)OC1=O.CCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1C(=O)OC(C)(C)C1O.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C.

What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 NCQRNQXOVKMFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5.2C13H22O4.C12H20O5.C12H20O4.C11H18O4/c1-6-12(2,3)11(15)18-13(4,5)17-9-7-8-16-10(9)14;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(15)16-7-8(13)12(4,5)17-9(7)14;1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13/h9H,6-8H2,1-5H3;7-8H2,1-6H3;9H,6-8H2,1-5H3;7-8,13H,6H2,1-5H3;8H,6-7H2,1-5H3;5-7H2,1-4H3.

What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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?

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 1429.78 g/mol, XLogP of 11.41, 21 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-hydroxy-5,5-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-(2-oxooxolan-3-yl)oxypropan-2-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 159742669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).