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

C65H106O24 — CID 158714532

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

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate (PubChem CID 158714532) 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;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate.

Molecular Properties

• Compound Name: (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate
• PubChem CID: 158714532
• 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;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C.CCC(C)(C)C(=O)OC1CC(C)OC1=O.CCC(C)C(=O)OC1(C)CCOC1=O.CCC(C)C(=O)OC1C(=O)OCC1(C)C.CCC(C)C(=O)OC1CC(C)OC1=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)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;1-5-7(2)9(12)15-8-10(13)14-6-11(8,3)4;1-4-7(2)8(11)14-10(3)5-6-13-9(10)12;1-4-6(2)9(11)14-8-5-7(3)13-10(8)12/h8H,6-7H2,1-5H3;5-7H2,1-4H3;2*7-8H,5-6H2,1-4H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3
• InChIKey: IJDLSOWPGFTOLU-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;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate?

The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate (CID 158714532) is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate.

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

The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate is CCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C.CCC(C)(C)C(=O)OC1CC(C)OC1=O.CCC(C)C(=O)OC1(C)CCOC1=O.CCC(C)C(=O)OC1C(=O)OCC1(C)C.CCC(C)C(=O)OC1CC(C)OC1=O.

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

The InChIKey is IJDLSOWPGFTOLU-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)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;1-5-7(2)9(12)15-8-10(13)14-6-11(8,3)4;1-4-7(2)8(11)14-10(3)5-6-13-9(10)12;1-4-6(2)9(11)14-8-5-7(3)13-10(8)12/h8H,6-7H2,1-5H3;5-7H2,1-4H3;2*7-8H,5-6H2,1-4H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3.

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

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate 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;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate is sourced from PubChem (CID 158714532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).