[6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol

C182H234O20 — CID 160899631

About [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol

[6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol (PubChem CID 160899631) has the molecular formula C182H234O20 and a molecular weight of 2741.85 g/mol. Its IUPAC name is [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol
• PubChem CID: 160899631
• Molecular Formula: C182H234O20
• Molecular Weight: 2741.85 g/mol
• Exact Mass: 2739.73
• IUPAC Name: [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol
• SMILES: CCC(C)(C)C(=O)Oc1ccc(C(C)(C)O)c2ccccc12.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)(C)O)ccc2c1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)O)ccc2c1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)OC(C)=O)ccc2c1.CCC(C)(C)c1c2ccccc2c(C(C)(C)O)c2ccccc12.CCC(C)(C)c1cccc2c(C(C)(C)O)cccc12.CCC(C)c1cc(C(C)(C)O)cc(C(C)(C)O)c1.CCC(C)c1ccc(C(C)(C)O)c2ccccc12.CCC(C)c1ccc2cc(C(C)(C)O)ccc2c1.CCC(C)c1ccc2cc(C(C)O)ccc2c1
• InChI: InChI=1S/C22H26O.C20H24O4.2C19H24O3.C18H22O3.C18H24O.2C17H22O.C16H26O2.C16H20O/c1-6-21(2,3)19-15-11-7-9-13-17(15)20(22(4,5)23)18-14-10-8-12-16(18)19;1-6-20(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;1-6-18(2,3)17(20)22-16-12-11-15(19(4,5)21)13-9-7-8-10-14(13)16;1-5-18(3,4)17(20)21-16-9-8-14-10-13(12(2)19)6-7-15(14)11-16;1-6-17(2,3)15-11-7-10-14-13(15)9-8-12-16(14)18(4,5)19;1-5-12(2)13-6-7-15-11-16(17(3,4)18)9-8-14(15)10-13;1-5-12(2)13-10-11-16(17(3,4)18)15-9-7-6-8-14(13)15;1-7-11(2)12-8-13(15(3,4)17)10-14(9-12)16(5,6)18;1-4-11(2)13-5-7-16-10-14(12(3)17)6-8-15(16)9-13/h7-14,23H,6H2,1-5H3;7-13H,6H2,1-5H3;2*7-12,21H,6H2,1-5H3;6-12,19H,5H2,1-4H3;7-12,19H,6H2,1-5H3;2*6-12,18H,5H2,1-4H3;8-11,17-18H,7H2,1-6H3;5-12,17H,4H2,1-3H3
• InChIKey: SPIFYLFUDXCSCJ-UHFFFAOYSA-N
• XLogP: 45.74
• TPSA: 333.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2741.85
LogP ≤ 5	45.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol?

The IUPAC name of [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol (CID 160899631) is [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol.

What is the SMILES notation for [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol?

The canonical SMILES for [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol is CCC(C)(C)C(=O)Oc1ccc(C(C)(C)O)c2ccccc12.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)(C)O)ccc2c1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)O)ccc2c1.CCC(C)(C)C(=O)Oc1ccc2cc(C(C)OC(C)=O)ccc2c1.CCC(C)(C)c1c2ccccc2c(C(C)(C)O)c2ccccc12.CCC(C)(C)c1cccc2c(C(C)(C)O)cccc12.CCC(C)c1cc(C(C)(C)O)cc(C(C)(C)O)c1.CCC(C)c1ccc(C(C)(C)O)c2ccccc12.CCC(C)c1ccc2cc(C(C)(C)O)ccc2c1.CCC(C)c1ccc2cc(C(C)O)ccc2c1.

What is the InChIKey of [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol?

The InChIKey is SPIFYLFUDXCSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O.C20H24O4.2C19H24O3.C18H22O3.C18H24O.2C17H22O.C16H26O2.C16H20O/c1-6-21(2,3)19-15-11-7-9-13-17(15)20(22(4,5)23)18-14-10-8-12-16(18)19;1-6-20(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;1-6-18(2,3)17(20)22-16-12-11-15(19(4,5)21)13-9-7-8-10-14(13)16;1-5-18(3,4)17(20)21-16-9-8-14-10-13(12(2)19)6-7-15(14)11-16;1-6-17(2,3)15-11-7-10-14-13(15)9-8-12-16(14)18(4,5)19;1-5-12(2)13-6-7-15-11-16(17(3,4)18)9-8-14(15)10-13;1-5-12(2)13-10-11-16(17(3,4)18)15-9-7-6-8-14(13)15;1-7-11(2)12-8-13(15(3,4)17)10-14(9-12)16(5,6)18;1-4-11(2)13-5-7-16-10-14(12(3)17)6-8-15(16)9-13/h7-14,23H,6H2,1-5H3;7-13H,6H2,1-5H3;2*7-12,21H,6H2,1-5H3;6-12,19H,5H2,1-4H3;7-12,19H,6H2,1-5H3;2*6-12,18H,5H2,1-4H3;8-11,17-18H,7H2,1-6H3;5-12,17H,4H2,1-3H3.

What are the key properties of [6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol?

[6-(1-acetyloxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol has a molecular weight of 2741.85 g/mol, XLogP of 45.74, 36 rotatable bonds, 10 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;2-[3-butan-2-yl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol;1-(6-butan-2-ylnaphthalen-2-yl)ethanol;2-(4-butan-2-ylnaphthalen-1-yl)propan-2-ol;2-(6-butan-2-ylnaphthalen-2-yl)propan-2-ol;[6-(1-hydroxyethyl)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(2-hydroxypropan-2-yl)naphthalen-1-yl] 2,2-dimethylbutanoate;[6-(2-hydroxypropan-2-yl)naphthalen-2-yl] 2,2-dimethylbutanoate;2-[10-(2-methylbutan-2-yl)anthracen-9-yl]propan-2-ol;2-[5-(2-methylbutan-2-yl)naphthalen-1-yl]propan-2-ol is sourced from PubChem (CID 160899631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).