2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate

C55H90O19 — CID 162221329

About 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate

2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 162221329) has the molecular formula C55H90O19 and a molecular weight of 1055.31 g/mol. Its IUPAC name is 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• PubChem CID: 162221329
• Molecular Formula: C55H90O19
• Molecular Weight: 1055.31 g/mol
• Exact Mass: 1054.61
• IUPAC Name: 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C)CCC(=O)O1.CCC(C)(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCCO
• InChI: InChI=1S/C14H20O4.C12H20O4.C11H18O4.C10H16O4.C8H16O3/c1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-5-11(2,3)10(14)16-12(4)6-7-15-9(13)8-12;1-5-10(2,3)9(13)15-11(4)7-6-8(12)14-11;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-4-8(2,3)7(10)11-6-5-9/h7-11H,4-6H2,1-3H3;5-8H2,1-4H3;5-7H2,1-4H3;7H,4-6H2,1-3H3;9H,4-6H2,1-3H3
• InChIKey: ZUDWFSCXDTVKFG-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 256.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.31
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The IUPAC name of 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate (CID 162221329) is 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate.

What is the SMILES notation for 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The canonical SMILES for 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C)CCC(=O)O1.CCC(C)(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCCO.

What is the InChIKey of 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The InChIKey is ZUDWFSCXDTVKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4.C12H20O4.C11H18O4.C10H16O4.C8H16O3/c1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-5-11(2,3)10(14)16-12(4)6-7-15-9(13)8-12;1-5-10(2,3)9(13)15-11(4)7-6-8(12)14-11;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-4-8(2,3)7(10)11-6-5-9/h7-11H,4-6H2,1-3H3;5-8H2,1-4H3;5-7H2,1-4H3;7H,4-6H2,1-3H3;9H,4-6H2,1-3H3.

What are the key properties of 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 1055.31 g/mol, XLogP of 8.24, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyethyl 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 162221329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).