(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate

C136H284O25 — CID 159042345

About (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate

(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 159042345) has the molecular formula C136H284O25 and a molecular weight of 2319.74 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• PubChem CID: 159042345
• Molecular Formula: C136H284O25
• Molecular Weight: 2319.74 g/mol
• Exact Mass: 2318.10
• IUPAC Name: (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(C)CCCCC1.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC1(C)CCCCC1.CCC(C)C(=O)OC1(CC)CCCCC1.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC1(OC(=O)C(C)(C)CC)CCCCC1
• InChI: InChI=1S/C19H30O4.C18H28O5.C14H26O2.C13H18O4.2C13H24O2.C12H22O2.C10H16O4.24CH4/c1-5-18(2,3)17(21)22-11-16(20)23-19(4)14-7-12-6-13(9-14)10-15(19)8-12;1-4-16(2,3)15(20)22-10-14(19)23-18-8-12-5-13(9-18)7-17(21,6-12)11-18;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;1-5-12(2,3)11(14)15-13(4)9-7-6-8-10-13;1-4-11(3)12(14)15-13(5-2)9-7-6-8-10-13;1-4-10(2)11(13)14-12(3)8-6-5-7-9-12;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;;;;;;;;;;;;;;;;;;;;;;;;/h12-15H,5-11H2,1-4H3;12-13,21H,4-11H2,1-3H3;5-11H2,1-4H3;6-11H,3-5H2,1-2H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;7H,4-6H2,1-3H3;24*1H4
• InChIKey: JWFLBQLFGSYGPZ-UHFFFAOYSA-N
• XLogP: 39.14
• TPSA: 335.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2319.74
LogP ≤ 5	39.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The IUPAC name of (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate (CID 159042345) is (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate.

What is the SMILES notation for (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The canonical SMILES for (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(C)CCCCC1.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC1(C)CCCCC1.CCC(C)C(=O)OC1(CC)CCCCC1.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC1(OC(=O)C(C)(C)CC)CCCCC1.

What is the InChIKey of (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The InChIKey is JWFLBQLFGSYGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4.C18H28O5.C14H26O2.C13H18O4.2C13H24O2.C12H22O2.C10H16O4.24CH4/c1-5-18(2,3)17(21)22-11-16(20)23-19(4)14-7-12-6-13(9-14)10-15(19)8-12;1-4-16(2,3)15(20)22-10-14(19)23-18-8-12-5-13(9-18)7-17(21,6-12)11-18;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;1-5-12(2,3)11(14)15-13(4)9-7-6-8-10-13;1-4-11(3)12(14)15-13(5-2)9-7-6-8-10-13;1-4-10(2)11(13)14-12(3)8-6-5-7-9-12;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;;;;;;;;;;;;;;;;;;;;;;;;/h12-15H,5-11H2,1-4H3;12-13,21H,4-11H2,1-3H3;5-11H2,1-4H3;6-11H,3-5H2,1-2H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;7H,4-6H2,1-3H3;24*1H4.

What are the key properties of (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 2319.74 g/mol, XLogP of 39.14, 30 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2-methylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 159042345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).