(2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

C108H168O16 — CID 164953592

About (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

(2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 164953592) has the molecular formula C108H168O16 and a molecular weight of 1722.52 g/mol. Its IUPAC name is (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• PubChem CID: 164953592
• Molecular Formula: C108H168O16
• Molecular Weight: 1722.52 g/mol
• Exact Mass: 1721.23
• IUPAC Name: (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C(C)(C)C)CCCC1.C=C(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C(C)CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(CC)CCCC1.C=CC1(OC(=O)C(=C)C)C2CC3CC(C2)CC1C3.C=CC1(OC(=O)C(=C)C)CCCC1
• InChI: InChI=1S/C18H28O2.C17H26O2.C16H22O2.C13H22O2.C12H20O2.C11H18O2.C11H16O2.C10H16O2/c1-5-12(4)18(20-17(19)11(2)3)15-7-13-6-14(9-15)10-16(18)8-13;1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;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(14)15-13(12(3,4)5)8-6-7-9-13;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;2*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/h12-16H,2,5-10H2,1,3-4H3;11-15H,1,5-9H2,2-4H3;4,11-14H,1-2,5-9H2,3H3;1,6-9H2,2-5H3;10H,1,5-8H2,2-4H3;2,4-8H2,1,3H3;4H,1-2,5-8H2,3H3;1,4-7H2,2-3H3
• InChIKey: AWBIYVFPWVPOAM-UHFFFAOYSA-N
• XLogP: 26.20
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.52
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The IUPAC name of (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (CID 164953592) is (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

What is the SMILES notation for (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The canonical SMILES for (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)(C)C)CCCC1.C=C(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C(C)CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(CC)CCCC1.C=CC1(OC(=O)C(=C)C)C2CC3CC(C2)CC1C3.C=CC1(OC(=O)C(=C)C)CCCC1.

What is the InChIKey of (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The InChIKey is AWBIYVFPWVPOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C17H26O2.C16H22O2.C13H22O2.C12H20O2.C11H18O2.C11H16O2.C10H16O2/c1-5-12(4)18(20-17(19)11(2)3)15-7-13-6-14(9-15)10-16(18)8-13;1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;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(14)15-13(12(3,4)5)8-6-7-9-13;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;2*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/h12-16H,2,5-10H2,1,3-4H3;11-15H,1,5-9H2,2-4H3;4,11-14H,1-2,5-9H2,3H3;1,6-9H2,2-5H3;10H,1,5-8H2,2-4H3;2,4-8H2,1,3H3;4H,1-2,5-8H2,3H3;1,4-7H2,2-3H3.

What are the key properties of (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

(2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 1722.52 g/mol, XLogP of 26.20, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2-butan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(2-ethenyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethenylcyclopentyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 164953592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).