2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate

C124H184O17 — CID 157149999

About 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate

2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate (PubChem CID 157149999) has the molecular formula C124H184O17 and a molecular weight of 1946.82 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate
• PubChem CID: 157149999
• Molecular Formula: C124H184O17
• Molecular Weight: 1946.82 g/mol
• Exact Mass: 1945.35
• IUPAC Name: 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=C)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(C)c1ccc2ccccc2c1.C=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1(CC)CCCCCCC1
• InChI: InChI=1S/C17H26O2.C17H18O2.C16H24O2.C16H24O.C14H24O2.C13H16O2.C12H20O2.C11H18O2.C8H14O2/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-12(2)16(18)19-17(3,4)15-10-9-13-7-5-6-8-14(13)11-15;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-10(2)11(3)17-16(4)14-6-12-5-13(8-14)9-15(16)7-12;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-6(2)7(9)10-8(3,4)5/h12-14H,1,5-10H2,2-4H3;5-11H,1H2,2-4H3;11-14H,2,4-9H2,1,3H3;12-15H,1,3,5-9H2,2,4H3;2,4-11H2,1,3H3;5-9H,1H2,2-4H3;2,4-9H2,1,3H3;2,4-8H2,1,3H3;1H2,2-5H3
• InChIKey: ALDKFBRDGZFLJG-UHFFFAOYSA-N
• XLogP: 31.30
• TPSA: 219.63 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1946.82
LogP ≤ 5	31.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate?

The IUPAC name of 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate (CID 157149999) is 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate.

What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate?

The canonical SMILES for 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate is C=C(C)C(=C)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(C)c1ccc2ccccc2c1.C=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1(CC)CCCCCCC1.

What is the InChIKey of 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate?

The InChIKey is ALDKFBRDGZFLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C17H18O2.C16H24O2.C16H24O.C14H24O2.C13H16O2.C12H20O2.C11H18O2.C8H14O2/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-12(2)16(18)19-17(3,4)15-10-9-13-7-5-6-8-14(13)11-15;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-10(2)11(3)17-16(4)14-6-12-5-13(8-14)9-15(16)7-12;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-6(2)7(9)10-8(3,4)5/h12-14H,1,5-10H2,2-4H3;5-11H,1H2,2-4H3;11-14H,2,4-9H2,1,3H3;12-15H,1,3,5-9H2,2,4H3;2,4-11H2,1,3H3;5-9H,1H2,2-4H3;2,4-9H2,1,3H3;2,4-8H2,1,3H3;1H2,2-5H3.

What are the key properties of 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate?

2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate has a molecular weight of 1946.82 g/mol, XLogP of 31.30, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 157149999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).