(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate

C98H182O26Si5 — CID 157145634

About (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate

(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate (PubChem CID 157145634) has the molecular formula C98H182O26Si5 and a molecular weight of 1916.94 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate
• PubChem CID: 157145634
• Molecular Formula: C98H182O26Si5
• Molecular Weight: 1916.94 g/mol
• Exact Mass: 1915.18
• IUPAC Name: (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.CCC1(OC(=O)C(C)(C)CC)CCCCC1.CCO[Si](CCCOC(=O)C(C)(C)CC)(OCC)OCC
• InChI: InChI=1S/C16H26O3.C15H36O6Si4.C15H32O5Si.C14H20O4.2C14H26O2.C10H16O4/c1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-11-15(2,3)14(16)17-12-13-25(10)20-23(6,7)18-22(4,5)19-24(8,9)21-25;1-7-15(5,6)14(16)17-12-11-13-21(18-8-2,19-9-3)20-10-4;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7/h11-12,18H,4-10H2,1-3H3;11-13H2,1-10H3;7-13H2,1-6H3;7-11H,4-6H2,1-3H3;11H,6-10H2,1-5H3;5-11H2,1-4H3;7H,4-6H2,1-3H3
• InChIKey: AKRACOKAKBFUNG-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 321.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.94
LogP ≤ 5	21.89
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate?

The IUPAC name of (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate (CID 157145634) is (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate.

What is the SMILES notation for (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate?

The canonical SMILES for (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.CCC1(OC(=O)C(C)(C)CC)CCCCC1.CCO[Si](CCCOC(=O)C(C)(C)CC)(OCC)OCC.

What is the InChIKey of (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate?

The InChIKey is AKRACOKAKBFUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3.C15H36O6Si4.C15H32O5Si.C14H20O4.2C14H26O2.C10H16O4/c1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-11-15(2,3)14(16)17-12-13-25(10)20-23(6,7)18-22(4,5)19-24(8,9)21-25;1-7-15(5,6)14(16)17-12-11-13-21(18-8-2,19-9-3)20-10-4;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7/h11-12,18H,4-10H2,1-3H3;11-13H2,1-10H3;7-13H2,1-6H3;7-11H,4-6H2,1-3H3;11H,6-10H2,1-5H3;5-11H2,1-4H3;7H,4-6H2,1-3H3.

What are the key properties of (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate?

(1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate has a molecular weight of 1916.94 g/mol, XLogP of 21.89, 34 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethylcyclohexyl) 2,2-dimethylbutanoate;2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;3-triethoxysilylpropyl 2,2-dimethylbutanoate is sourced from PubChem (CID 157145634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).