1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

C108H170O16 — CID 157247701

About 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 157247701) has the molecular formula C108H170O16 and a molecular weight of 1724.53 g/mol. Its IUPAC name is 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

• Compound Name: 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
• PubChem CID: 157247701
• Molecular Formula: C108H170O16
• Molecular Weight: 1724.53 g/mol
• Exact Mass: 1723.25
• IUPAC Name: 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=C(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CCCCCC1.C=CC(=O)OC1(C)CC2CC1C1CCCC21.C=CC(=O)OC1(C)CC2CCC1(C)C2(C)C.C=CC(=O)OC1(C)CC2CCC1C2.C=CC(=O)OC1(C)CCCCCCC1
• InChI: InChI=1S/C18H30O2.C15H24O2.C14H20O2.C14H22O2.C12H18O2.2C12H20O2.C11H16O2/c1-14(2)17(19)20-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-10(2)12(16)17-15(6)9-11-7-8-14(15,5)13(11,3)4;1-3-13(15)16-14(2)8-9-7-12(14)11-6-4-5-10(9)11;1-6-11(15)16-14(5)9-10-7-8-13(14,4)12(10,2)3;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-10(2)11(13)14-12(3)8-6-4-5-7-9-12;1-3-11(13)14-12(2)9-7-5-4-6-8-10-12;1-3-10(12)13-11(2)7-8-4-5-9(11)6-8/h15-16H,1,4-13H2,2-3H3;11H,1,7-9H2,2-6H3;3,9-12H,1,4-8H2,2H3;6,10H,1,7-9H2,2-5H3;9-10H,1,4-7H2,2-3H3;1,4-9H2,2-3H3;3H,1,4-10H2,2H3;3,8-9H,1,4-7H2,2H3
• InChIKey: AVZAXKDFVCLNDN-UHFFFAOYSA-N
• XLogP: 26.40
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1724.53
LogP ≤ 5	26.40
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The IUPAC name of 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 157247701) is 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

What is the SMILES notation for 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The canonical SMILES for 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=C(C)C(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=C(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CCCCCC1.C=CC(=O)OC1(C)CC2CC1C1CCCC21.C=CC(=O)OC1(C)CC2CCC1(C)C2(C)C.C=CC(=O)OC1(C)CC2CCC1C2.C=CC(=O)OC1(C)CCCCCCC1.

What is the InChIKey of 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The InChIKey is AVZAXKDFVCLNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2.C15H24O2.C14H20O2.C14H22O2.C12H18O2.2C12H20O2.C11H16O2/c1-14(2)17(19)20-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-10(2)12(16)17-15(6)9-11-7-8-14(15,5)13(11,3)4;1-3-13(15)16-14(2)8-9-7-12(14)11-6-4-5-10(9)11;1-6-11(15)16-14(5)9-10-7-8-13(14,4)12(10,2)3;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-10(2)11(13)14-12(3)8-6-4-5-7-9-12;1-3-11(13)14-12(2)9-7-5-4-6-8-10-12;1-3-10(12)13-11(2)7-8-4-5-9(11)6-8/h15-16H,1,4-13H2,2-3H3;11H,1,7-9H2,2-6H3;3,9-12H,1,4-8H2,2H3;6,10H,1,7-9H2,2-5H3;9-10H,1,4-7H2,2-3H3;1,4-9H2,2-3H3;3H,1,4-10H2,2H3;3,8-9H,1,4-7H2,2H3.

What are the key properties of 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 1724.53 g/mol, XLogP of 26.40, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dicyclohexylethyl 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcyclooctyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 157247701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).