2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate

C78H106O11 — CID 159309145

About 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate

2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate (PubChem CID 159309145) has the molecular formula C78H106O11 and a molecular weight of 1219.69 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate
• PubChem CID: 159309145
• Molecular Formula: C78H106O11
• Molecular Weight: 1219.69 g/mol
• Exact Mass: 1218.77
• IUPAC Name: 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)c1ccc(OCC(=O)OC(C)c2ccccc2)cc1.CCC(C)c1cccc(OCC(=O)OC(C)(C)C2CCCCC2)c1.CCC(C)c1cccc2c(OCC(=O)OC3(CC)CCCC3)cccc12
• InChI: InChI=1S/C23H30O3.C21H32O3.C20H24O3.C14H20O2/c1-4-17(3)18-10-8-12-20-19(18)11-9-13-21(20)25-16-22(24)26-23(5-2)14-6-7-15-23;1-5-16(2)17-10-9-13-19(14-17)23-15-20(22)24-21(3,4)18-11-7-6-8-12-18;1-4-15(2)17-10-12-19(13-11-17)22-14-20(21)23-16(3)18-8-6-5-7-9-18;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12/h8-13,17H,4-7,14-16H2,1-3H3;9-10,13-14,16,18H,5-8,11-12,15H2,1-4H3;5-13,15-16H,4,14H2,1-3H3;6-11H,5H2,1-4H3
• InChIKey: LCHRLRLCSJBABY-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 132.89 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1219.69
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate?

The IUPAC name of 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate (CID 159309145) is 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate.

What is the SMILES notation for 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate?

The canonical SMILES for 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)c1ccc(OCC(=O)OC(C)c2ccccc2)cc1.CCC(C)c1cccc(OCC(=O)OC(C)(C)C2CCCCC2)c1.CCC(C)c1cccc2c(OCC(=O)OC3(CC)CCCC3)cccc12.

What is the InChIKey of 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate?

The InChIKey is LCHRLRLCSJBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3.C21H32O3.C20H24O3.C14H20O2/c1-4-17(3)18-10-8-12-20-19(18)11-9-13-21(20)25-16-22(24)26-23(5-2)14-6-7-15-23;1-5-16(2)17-10-9-13-19(14-17)23-15-20(22)24-21(3,4)18-11-7-6-8-12-18;1-4-15(2)17-10-12-19(13-11-17)22-14-20(21)23-16(3)18-8-6-5-7-9-18;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12/h8-13,17H,4-7,14-16H2,1-3H3;9-10,13-14,16,18H,5-8,11-12,15H2,1-4H3;5-13,15-16H,4,14H2,1-3H3;6-11H,5H2,1-4H3.

What are the key properties of 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate?

2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate has a molecular weight of 1219.69 g/mol, XLogP of 20.09, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 159309145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).