[6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate

C139H178O20 — CID 167567815

About [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate

[6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate (PubChem CID 167567815) has the molecular formula C139H178O20 and a molecular weight of 2168.93 g/mol. Its IUPAC name is [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate
• PubChem CID: 167567815
• Molecular Formula: C139H178O20
• Molecular Weight: 2168.93 g/mol
• Exact Mass: 2167.29
• IUPAC Name: [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)Oc1ccc(C(C)OC(C)=O)cc1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)(C)O)ccc2c1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)OC(C)=O)ccc2c1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)OC)ccc2c1.CCC(C)c1ccc(C(C)OC(C)=O)cc1.CCC(C)c1ccc2cc(C(C)(C)O)ccc2c1.CCC(C)c1ccc2cc(C(C)O)ccc2c1.CCC(C)c1ccc2cc(C(C)OC(C)=O)ccc2c1
• InChI: InChI=1S/C20H24O4.2C19H24O3.C18H22O2.C17H22O.C16H22O4.C16H20O.C14H20O2/c1-6-20(4,5)19(22)24-18-10-9-16-11-15(7-8-17(16)12-18)13(2)23-14(3)21;1-6-18(2,3)17(20)22-16-10-8-13-11-15(19(4,5)21)9-7-14(13)12-16;1-6-19(3,4)18(20)22-17-10-9-15-11-14(13(2)21-5)7-8-16(15)12-17;1-5-12(2)15-6-8-18-11-16(7-9-17(18)10-15)13(3)20-14(4)19;1-5-12(2)13-6-7-15-11-16(17(3,4)18)9-8-14(15)10-13;1-6-16(4,5)15(18)20-14-9-7-13(8-10-14)11(2)19-12(3)17;1-4-11(2)13-5-7-16-10-14(12(3)17)6-8-15(16)9-13;1-5-10(2)13-6-8-14(9-7-13)11(3)16-12(4)15/h7-13H,6H2,1-5H3;7-12,21H,6H2,1-5H3;7-13H,6H2,1-5H3;6-13H,5H2,1-4H3;6-12,18H,5H2,1-4H3;7-11H,6H2,1-5H3;5-12,17H,4H2,1-3H3;6-11H,5H2,1-4H3
• InChIKey: FMXQQMBTSXHMIV-UHFFFAOYSA-N
• XLogP: 35.54
• TPSA: 280.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 33
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2168.93
LogP ≤ 5	35.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate?

The IUPAC name of [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate (CID 167567815) is [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate.

What is the SMILES notation for [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate?

The canonical SMILES for [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)Oc1ccc(C(C)OC(C)=O)cc1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)(C)O)ccc2c1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)OC(C)=O)ccc2c1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)OC)ccc2c1.CCC(C)c1ccc(C(C)OC(C)=O)cc1.CCC(C)c1ccc2cc(C(C)(C)O)ccc2c1.CCC(C)c1ccc2cc(C(C)O)ccc2c1.CCC(C)c1ccc2cc(C(C)OC(C)=O)ccc2c1.

What is the InChIKey of [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate?

The InChIKey is FMXQQMBTSXHMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4.2C19H24O3.C18H22O2.C17H22O.C16H22O4.C16H20O.C14H20O2/c1-6-20(4,5)19(22)24-18-10-9-16-11-15(7-8-17(16)12-18)13(2)23-14(3)21;1-6-18(2,3)17(20)22-16-10-8-13-11-15(19(4,5)21)9-7-14(13)12-16;1-6-19(3,4)18(20)22-17-10-9-15-11-14(13(2)21-5)7-8-16(15)12-17;1-5-12(2)15-6-8-18-11-16(7-9-17(18)10-15)13(3)20-14(4)19;1-5-12(2)13-6-7-15-11-16(17(3,4)18)9-8-14(15)10-13;1-6-16(4,5)15(18)20-14-9-7-13(8-10-14)11(2)19-12(3)17;1-4-11(2)13-5-7-16-10-14(12(3)17)6-8-15(16)9-13;1-5-10(2)13-6-8-14(9-7-13)11(3)16-12(4)15/h7-13H,6H2,1-5H3;7-12,21H,6H2,1-5H3;7-13H,6H2,1-5H3;6-13H,5H2,1-4H3;6-12,18H,5H2,1-4H3;7-11H,6H2,1-5H3;5-12,17H,4H2,1-3H3;6-11H,5H2,1-4H3.

What are the key properties of [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate?

[6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate has a molecular weight of 2168.93 g/mol, XLogP of 35.54, 33 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(1-acetyloxyethyl)phenyl] 2,2-dimethylbutanoate;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;1-(6-butan-2-ylnaphthalen-2-yl)ethyl acetate;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;1-(4-butan-2-ylphenyl)ethyl acetate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;[6-(1-methoxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 167567815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).