2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

C63H94F2O14 — CID 161456598

About 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 161456598) has the molecular formula C63H94F2O14 and a molecular weight of 1113.43 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• PubChem CID: 161456598
• Molecular Formula: C63H94F2O14
• Molecular Weight: 1113.43 g/mol
• Exact Mass: 1112.66
• IUPAC Name: 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(CC)C(F)(F)C(=O)OC.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1CCOC1=O
• InChI: InChI=1S/C17H26O2.C16H24O2.C12H20O2.C10H14F2O4.C8H10O4/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-5-7(16-8(13)6(2)3)10(11,12)9(14)15-4;1-5(2)7(9)12-6-3-4-11-8(6)10/h12-14H,1,5-10H2,2-4H3;11-14H,2,4-9H2,1,3H3;10H,1,5-8H2,2-4H3;7H,2,5H2,1,3-4H3;6H,1,3-4H2,2H3
• InChIKey: WBFSOKLTCVVVIF-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 184.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.43
LogP ≤ 5	13.00
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)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The IUPAC name of 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (CID 161456598) is 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The canonical SMILES for 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(CC)C(F)(F)C(=O)OC.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1CCOC1=O.

What is the InChIKey of 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The InChIKey is WBFSOKLTCVVVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C16H24O2.C12H20O2.C10H14F2O4.C8H10O4/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-5-7(16-8(13)6(2)3)10(11,12)9(14)15-4;1-5(2)7(9)12-6-3-4-11-8(6)10/h12-14H,1,5-10H2,2-4H3;11-14H,2,4-9H2,1,3H3;10H,1,5-8H2,2-4H3;7H,2,5H2,1,3-4H3;6H,1,3-4H2,2H3.

What are the key properties of 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 1113.43 g/mol, XLogP of 13.00, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 161456598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).