1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

C92H134O14 — CID 157325331

About 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 157325331) has the molecular formula C92H134O14 and a molecular weight of 1464.07 g/mol. Its IUPAC name is 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

• Compound Name: 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
• PubChem CID: 157325331
• Molecular Formula: C92H134O14
• Molecular Weight: 1464.07 g/mol
• Exact Mass: 1462.98
• IUPAC Name: 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC1CC2CC1C1CCCC21.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1CC2CCC1C2.C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OC1CC2CCC1C2
• InChI: InChI=1S/C16H22O2.2C14H20O2.C14H22O2.C13H20O2.C11H16O2.C10H14O2/c1-8(2)16(17)18-13-7-11-6-12(13)15-10-4-3-9(5-10)14(11)15;1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14;1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-7(2)11(12)13-10-6-8-3-4-9(10)5-8;1-2-10(11)12-9-6-7-3-4-8(9)5-7/h9-15H,1,3-7H2,2H3;10-12H,1,3-8H2,2H3;9-13H,1,3-7H2,2H3;10-11H,1,6-8H2,2-5H3;5,9-10H,1,6-8H2,2-4H3;8-10H,1,3-6H2,2H3;2,7-9H,1,3-6H2
• InChIKey: BEQNHUPSLMPVMD-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 184.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1464.07
LogP ≤ 5	19.63
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': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The IUPAC name of 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 157325331) is 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

What is the SMILES notation for 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The canonical SMILES for 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC1CC2CC1C1CCCC21.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1CC2CCC1C2.C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OC1CC2CCC1C2.

What is the InChIKey of 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The InChIKey is BEQNHUPSLMPVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2.2C14H20O2.C14H22O2.C13H20O2.C11H16O2.C10H14O2/c1-8(2)16(17)18-13-7-11-6-12(13)15-10-4-3-9(5-10)14(11)15;1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14;1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-7(2)11(12)13-10-6-8-3-4-9(10)5-8;1-2-10(11)12-9-6-7-3-4-8(9)5-7/h9-15H,1,3-7H2,2H3;10-12H,1,3-8H2,2H3;9-13H,1,3-7H2,2H3;10-11H,1,6-8H2,2-5H3;5,9-10H,1,6-8H2,2-4H3;8-10H,1,3-6H2,2H3;2,7-9H,1,3-6H2.

What are the key properties of 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 1464.07 g/mol, XLogP of 19.63, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-bicyclo[2.2.1]heptanyl prop-2-enoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 157325331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).