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

C60H100O20 — CID 161265012

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

(2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate (PubChem CID 161265012) has the molecular formula C60H100O20 and a molecular weight of 1141.44 g/mol. Its IUPAC name is (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate.

Molecular Properties

• Compound Name: (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate
• PubChem CID: 161265012
• Molecular Formula: C60H100O20
• Molecular Weight: 1141.44 g/mol
• Exact Mass: 1140.68
• IUPAC Name: (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C)CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1C.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)C.CCC(C)C(=O)OC1(C)CC(=O)OC1(C)C.CCC(C)C(=O)OC1CC(=O)OC1(C)C
• InChI: InChI=1S/C13H22O4.3C12H20O4.C11H18O4/c1-7-11(2,3)10(15)17-13(6)8-9(14)16-12(13,4)5;1-6-11(2,3)10(14)15-8-7-9(13)16-12(8,4)5;1-6-11(3,4)10(14)16-12(5)7-9(13)15-8(12)2;1-6-8(2)10(14)16-12(5)7-9(13)15-11(12,3)4;1-5-7(2)10(13)14-8-6-9(12)15-11(8,3)4/h7-8H2,1-6H3;3*8H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3
• InChIKey: VDBGSXRXSOESOQ-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 263.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1141.44
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate?

The IUPAC name of (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate (CID 161265012) is (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate.

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

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

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

The InChIKey is VDBGSXRXSOESOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4.3C12H20O4.C11H18O4/c1-7-11(2,3)10(15)17-13(6)8-9(14)16-12(13,4)5;1-6-11(2,3)10(14)15-8-7-9(13)16-12(8,4)5;1-6-11(3,4)10(14)16-12(5)7-9(13)15-8(12)2;1-6-8(2)10(14)16-12(5)7-9(13)15-11(12,3)4;1-5-7(2)10(13)14-8-6-9(12)15-11(8,3)4/h7-8H2,1-6H3;3*8H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3.

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

(2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate has a molecular weight of 1141.44 g/mol, XLogP of 10.30, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate is sourced from PubChem (CID 161265012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).