2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate

C135H194O23 — CID 162213429

About 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate

2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate (PubChem CID 162213429) has the molecular formula C135H194O23 and a molecular weight of 2185.01 g/mol. Its IUPAC name is 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
• PubChem CID: 162213429
• Molecular Formula: C135H194O23
• Molecular Weight: 2185.01 g/mol
• Exact Mass: 2183.40
• IUPAC Name: 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)Oc1cccc2c(CO)cccc12.CCC(C)(C)C(=O)Oc1cccc2c(O)cccc12.CCC(C)c1ccc2cc(COCOC)ccc2c1
• InChI: InChI=1S/2C20H32O2.C17H20O3.C17H22O2.2C16H26O3.C16H18O3.C13H18O5/c2*1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-4-17(2,3)16(19)20-15-10-6-8-13-12(11-18)7-5-9-14(13)15;1-4-13(2)15-7-8-16-9-14(11-19-12-18-3)5-6-17(16)10-15;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-16(2,3)15(18)19-14-10-6-7-11-12(14)8-5-9-13(11)17;1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14/h2*12-17H,5-11H2,1-4H3;5-10,18H,4,11H2,1-3H3;5-10,13H,4,11-12H2,1-3H3;2*11-12,18H,4-10H2,1-3H3;5-10,17H,4H2,1-3H3;6-10H,4-5H2,1-3H3
• InChIKey: ZTDVVCMGLVXVML-UHFFFAOYSA-N
• XLogP: 28.81
• TPSA: 319.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2185.01
LogP ≤ 5	28.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?

The IUPAC name of 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate (CID 162213429) is 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate.

What is the SMILES notation for 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?

The canonical SMILES for 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)Oc1cccc2c(CO)cccc12.CCC(C)(C)C(=O)Oc1cccc2c(O)cccc12.CCC(C)c1ccc2cc(COCOC)ccc2c1.

What is the InChIKey of 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?

The InChIKey is ZTDVVCMGLVXVML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H32O2.C17H20O3.C17H22O2.2C16H26O3.C16H18O3.C13H18O5/c2*1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-4-17(2,3)16(19)20-15-10-6-8-13-12(11-18)7-5-9-14(13)15;1-4-13(2)15-7-8-16-9-14(11-19-12-18-3)5-6-17(16)10-15;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-16(2,3)15(18)19-14-10-6-7-11-12(14)8-5-9-13(11)17;1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14/h2*12-17H,5-11H2,1-4H3;5-10,18H,4,11H2,1-3H3;5-10,13H,4,11-12H2,1-3H3;2*11-12,18H,4-10H2,1-3H3;5-10,17H,4H2,1-3H3;6-10H,4-5H2,1-3H3.

What are the key properties of 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?

2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate has a molecular weight of 2185.01 g/mol, XLogP of 28.81, 30 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-yl-6-(methoxymethoxymethyl)naphthalene;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[5-(hydroxymethyl)naphthalen-1-yl] 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 162213429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).