2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate

C146H280O14 — CID 159773659

About 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate

2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate (PubChem CID 159773659) has the molecular formula C146H280O14 and a molecular weight of 2259.83 g/mol. Its IUPAC name is 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate
• PubChem CID: 159773659
• Molecular Formula: C146H280O14
• Molecular Weight: 2259.83 g/mol
• Exact Mass: 2258.12
• IUPAC Name: 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC1C3)C2.CCC(C)(C)C(=O)OC1(C)CCC2CCCCC2C1.CCC(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)C(=O)OC(C)(C)C12CC3CC(CC1C3)C2.CCCCC(C)(OC(=O)C(C)(C)CC)C12CC3CC(CC(C3)C1)C2.CCCCC(C)(OC(=O)C(C)CC)C12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C22H38O2.C21H36O2.C19H32O2.2C18H30O2.C17H28O2.C17H30O2.14CH4/c1-6-8-9-21(5,24-19(23)20(3,4)7-2)22-13-16-10-17(14-22)12-18(11-16)15-22;1-5-7-8-20(4,23-19(22)15(3)6-2)21-12-16-9-17(13-21)11-18(10-16)14-21;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-6-16(2,3)15(19)20-17(4,5)18-10-12-7-13(11-18)9-14(18)8-12;1-5-12(2)16(19)20-17(3,4)18-9-13-6-14(10-18)8-15(7-13)11-18;1-5-11(2)15(18)19-16(3,4)17-9-12-6-13(10-17)8-14(17)7-12;1-5-16(2,3)15(18)19-17(4)11-10-13-8-6-7-9-14(13)12-17;;;;;;;;;;;;;;/h16-18H,6-15H2,1-5H3;15-18H,5-14H2,1-4H3;13-15H,6-12H2,1-5H3;12-14H,6-11H2,1-5H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;13-14H,5-12H2,1-4H3;14*1H4
• InChIKey: NGLGZJKHSSSVJT-UHFFFAOYSA-N
• XLogP: 43.78
• TPSA: 184.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 33
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2259.83
LogP ≤ 5	43.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate?

The IUPAC name of 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate (CID 159773659) is 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate.

What is the SMILES notation for 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate?

The canonical SMILES for 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC1C3)C2.CCC(C)(C)C(=O)OC1(C)CCC2CCCCC2C1.CCC(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)C(=O)OC(C)(C)C12CC3CC(CC1C3)C2.CCCCC(C)(OC(=O)C(C)(C)CC)C12CC3CC(CC(C3)C1)C2.CCCCC(C)(OC(=O)C(C)CC)C12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate?

The InChIKey is NGLGZJKHSSSVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2.C21H36O2.C19H32O2.2C18H30O2.C17H28O2.C17H30O2.14CH4/c1-6-8-9-21(5,24-19(23)20(3,4)7-2)22-13-16-10-17(14-22)12-18(11-16)15-22;1-5-7-8-20(4,23-19(22)15(3)6-2)21-12-16-9-17(13-21)11-18(10-16)14-21;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-6-16(2,3)15(19)20-17(4,5)18-10-12-7-13(11-18)9-14(18)8-12;1-5-12(2)16(19)20-17(3,4)18-9-13-6-14(10-18)8-15(7-13)11-18;1-5-11(2)15(18)19-16(3,4)17-9-12-6-13(10-17)8-14(17)7-12;1-5-16(2,3)15(18)19-17(4)11-10-13-8-6-7-9-14(13)12-17;;;;;;;;;;;;;;/h16-18H,6-15H2,1-5H3;15-18H,5-14H2,1-4H3;13-15H,6-12H2,1-5H3;12-14H,6-11H2,1-5H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;13-14H,5-12H2,1-4H3;14*1H4.

What are the key properties of 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate?

2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate has a molecular weight of 2259.83 g/mol, XLogP of 43.78, 33 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2-methylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2-methylbutanoate;methane;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylbutanoate is sourced from PubChem (CID 159773659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).