(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate

C96H142O16 — CID 161030114

About (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate

(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate (PubChem CID 161030114) has the molecular formula C96H142O16 and a molecular weight of 1552.18 g/mol. Its IUPAC name is (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
• PubChem CID: 161030114
• Molecular Formula: C96H142O16
• Molecular Weight: 1552.18 g/mol
• Exact Mass: 1551.03
• IUPAC Name: (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C)CC2C=CC1C2.C=C(C)C(=O)OC1(C)CC2CC1C1CCCC21.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CC=CC1.C=C(C)C(=O)OC1(C)CC=CCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(C)CCCCC1
• InChI: InChI=1S/2C15H22O2.C12H18O2.C12H16O2.C11H18O2.C11H16O2.C10H16O2.C10H14O2/c1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-9(2)14(16)17-15(3)8-10-7-13(15)12-6-4-5-11(10)12;2*1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;2*1-9(2)10(12)13-11(3)7-5-4-6-8-11;2*1-8(2)9(11)12-10(3)6-4-5-7-10/h2*10-13H,1,4-8H2,2-3H3;9-10H,1,4-7H2,2-3H3;4-5,9-10H,1,6-7H2,2-3H3;1,4-8H2,2-3H3;4-5H,1,6-8H2,2-3H3;1,4-7H2,2-3H3;4-5H,1,6-7H2,2-3H3
• InChIKey: TZMOLVAIOPBORO-UHFFFAOYSA-N
• XLogP: 21.87
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.18
LogP ≤ 5	21.87
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-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?

The IUPAC name of (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate (CID 161030114) is (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate.

What is the SMILES notation for (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?

The canonical SMILES for (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C)CC2C=CC1C2.C=C(C)C(=O)OC1(C)CC2CC1C1CCCC21.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CC=CC1.C=C(C)C(=O)OC1(C)CC=CCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(C)CCCCC1.

What is the InChIKey of (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?

The InChIKey is TZMOLVAIOPBORO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22O2.C12H18O2.C12H16O2.C11H18O2.C11H16O2.C10H16O2.C10H14O2/c1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-9(2)14(16)17-15(3)8-10-7-13(15)12-6-4-5-11(10)12;2*1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;2*1-9(2)10(12)13-11(3)7-5-4-6-8-11;2*1-8(2)9(11)12-10(3)6-4-5-7-10/h2*10-13H,1,4-8H2,2-3H3;9-10H,1,4-7H2,2-3H3;4-5,9-10H,1,6-7H2,2-3H3;1,4-8H2,2-3H3;4-5H,1,6-8H2,2-3H3;1,4-7H2,2-3H3;4-5H,1,6-7H2,2-3H3.

What are the key properties of (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?

(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate has a molecular weight of 1552.18 g/mol, XLogP of 21.87, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]hept-5-enyl) 2-methylprop-2-enoate;(1-methylcyclohex-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopent-3-en-1-yl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 161030114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).