2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

C86H140O14 — CID 158543649

About 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 158543649) has the molecular formula C86H140O14 and a molecular weight of 1398.05 g/mol. Its IUPAC name is 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• PubChem CID: 158543649
• Molecular Formula: C86H140O14
• Molecular Weight: 1398.05 g/mol
• Exact Mass: 1397.02
• IUPAC Name: 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)C(C)C.C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(CC)CCCC1
• InChI: InChI=1S/C18H28O2.C17H26O2.C12H20O2.C11H18O2.C10H16O2.C10H18O2.C8H14O2/c1-5-17(4,20-16(19)12(2)3)18-9-13-6-14(10-18)8-15(7-13)11-18;1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-8(2)9(11)12-10(3)6-4-5-7-10;1-7(2)9(11)12-10(5,6)8(3)4;1-6(2)7(9)10-8(3,4)5/h13-15H,2,5-11H2,1,3-4H3;12-14H,1,5-10H2,2-4H3;10H,1,5-8H2,2-4H3;2,4-8H2,1,3H3;1,4-7H2,2-3H3;8H,1H2,2-6H3;1H2,2-5H3
• InChIKey: HOVLJZPARPRXEP-UHFFFAOYSA-N
• XLogP: 21.38
• TPSA: 184.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1398.05
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The IUPAC name of 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (CID 158543649) is 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

What is the SMILES notation for 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The canonical SMILES for 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)C(C)C.C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(CC)CCCC1.

What is the InChIKey of 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The InChIKey is HOVLJZPARPRXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C17H26O2.C12H20O2.C11H18O2.C10H16O2.C10H18O2.C8H14O2/c1-5-17(4,20-16(19)12(2)3)18-9-13-6-14(10-18)8-15(7-13)11-18;1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-8(2)9(11)12-10(3)6-4-5-7-10;1-7(2)9(11)12-10(5,6)8(3)4;1-6(2)7(9)10-8(3,4)5/h13-15H,2,5-11H2,1,3-4H3;12-14H,1,5-10H2,2-4H3;10H,1,5-8H2,2-4H3;2,4-8H2,1,3H3;1,4-7H2,2-3H3;8H,1H2,2-6H3;1H2,2-5H3.

What are the key properties of 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 1398.05 g/mol, XLogP of 21.38, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2,3-dimethylbutan-2-yl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 158543649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).