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

C65H106O24 — CID 159762069

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

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) (PubChem CID 159762069) has the molecular formula C65H106O24 and a molecular weight of 1271.54 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)
• PubChem CID: 159762069
• Molecular Formula: C65H106O24
• Molecular Weight: 1271.54 g/mol
• Exact Mass: 1270.71
• IUPAC Name: (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)
• SMILES: 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)OC1C(=O)OCC1C.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1CCOC1=O
• InChI: InChI=1S/C12H20O4.3C11H18O4.2C10H16O4/c1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;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)15-8-7(2)6-14-9(8)12;2*1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h8H,6-7H2,1-5H3;2*5-7H2,1-4H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3
• InChIKey: NFAFCHGUUDGWOC-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 315.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1271.54
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) (CID 159762069) is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate).

What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) is 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)OC1C(=O)OCC1C.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1CCOC1=O.

What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The InChIKey is NFAFCHGUUDGWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4.3C11H18O4.2C10H16O4/c1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;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)15-8-7(2)6-14-9(8)12;2*1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h8H,6-7H2,1-5H3;2*5-7H2,1-4H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3.

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

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) has a molecular weight of 1271.54 g/mol, XLogP of 9.35, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 159762069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).