2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate

C164H252O20 — CID 159113419

About 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate

2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate (PubChem CID 159113419) has the molecular formula C164H252O20 and a molecular weight of 2543.80 g/mol. Its IUPAC name is 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate
• PubChem CID: 159113419
• Molecular Formula: C164H252O20
• Molecular Weight: 2543.80 g/mol
• Exact Mass: 2541.87
• IUPAC Name: 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(CCCC)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C)CCC2CCCCC2C1.C=C(C)C(=O)OC1(CCCC)C2CC3CC(C2)CC1C3.C=CC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=CC(=O)OC(C)(CCCC)C12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)CCC2CCCCC2C1
• InChI: InChI=1S/C20H32O2.C19H30O2.C18H28O2.C17H26O2.2C16H24O2.C15H22O2.C15H24O2.C14H20O2.C14H22O2/c1-5-6-7-19(4,22-18(21)14(2)3)20-11-15-8-16(12-20)10-17(9-15)13-20;1-4-6-7-18(3,21-17(20)5-2)19-11-14-8-15(12-19)10-16(9-14)13-19;1-4-5-6-18(20-17(19)12(2)3)15-8-13-7-14(10-15)11-16(18)9-13;1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-4-14(17)18-15(2,3)16-8-11-5-12(9-16)7-13(6-11)10-16;1-4-15(17)18-16(10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-11(2)14(16)17-15(3)9-8-12-6-4-5-7-13(12)10-15;1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9;1-3-13(15)16-14(2)9-8-11-6-4-5-7-12(11)10-14/h15-17H,2,5-13H2,1,3-4H3;5,14-16H,2,4,6-13H2,1,3H3;13-16H,2,4-11H2,1,3H3;12-14H,1,5-10H2,2-4H3;4,11-13H,1,5-10H2,2-3H3;4,10-14H,1,5-9H2,2-3H3;10-13H,1,4-8H2,2-3H3;12-13H,1,4-10H2,2-3H3;3,9-12H,1,4-8H2,2H3;3,11-12H,1,4-10H2,2H3
• InChIKey: KETZFZMVVFODCO-UHFFFAOYSA-N
• XLogP: 39.59
• TPSA: 263.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2543.80
LogP ≤ 5	39.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate?

The IUPAC name of 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate (CID 159113419) is 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate.

What is the SMILES notation for 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate?

The canonical SMILES for 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate is C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(CCCC)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C)CCC2CCCCC2C1.C=C(C)C(=O)OC1(CCCC)C2CC3CC(C2)CC1C3.C=CC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=CC(=O)OC(C)(CCCC)C12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)CCC2CCCCC2C1.

What is the InChIKey of 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate?

The InChIKey is KETZFZMVVFODCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2.C19H30O2.C18H28O2.C17H26O2.2C16H24O2.C15H22O2.C15H24O2.C14H20O2.C14H22O2/c1-5-6-7-19(4,22-18(21)14(2)3)20-11-15-8-16(12-20)10-17(9-15)13-20;1-4-6-7-18(3,21-17(20)5-2)19-11-14-8-15(12-19)10-16(9-14)13-19;1-4-5-6-18(20-17(19)12(2)3)15-8-13-7-14(10-15)11-16(18)9-13;1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-4-14(17)18-15(2,3)16-8-11-5-12(9-16)7-13(6-11)10-16;1-4-15(17)18-16(10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-11(2)14(16)17-15(3)9-8-12-6-4-5-7-13(12)10-15;1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9;1-3-13(15)16-14(2)9-8-11-6-4-5-7-12(11)10-14/h15-17H,2,5-13H2,1,3-4H3;5,14-16H,2,4,6-13H2,1,3H3;13-16H,2,4-11H2,1,3H3;12-14H,1,5-10H2,2-4H3;4,11-13H,1,5-10H2,2-3H3;4,10-14H,1,5-9H2,2-3H3;10-13H,1,4-8H2,2-3H3;12-13H,1,4-10H2,2-3H3;3,9-12H,1,4-8H2,2H3;3,11-12H,1,4-10H2,2H3.

What are the key properties of 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate?

2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate has a molecular weight of 2543.80 g/mol, XLogP of 39.59, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylprop-2-enoate;(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate is sourced from PubChem (CID 159113419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).