benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C124H180O23 — CID 167699034

About benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 167699034) has the molecular formula C124H180O23 and a molecular weight of 2038.78 g/mol. Its IUPAC name is benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
• PubChem CID: 167699034
• Molecular Formula: C124H180O23
• Molecular Weight: 2038.78 g/mol
• Exact Mass: 2037.29
• IUPAC Name: benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
• SMILES: C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C=C(C)C(=O)OC.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.C=C(C)C(=O)OCc1ccccc1.C=CC(=O)CCC.C=CC(=O)CCC.C=CC(=O)OCC.C=CC(=O)OCCCCCCOC(=O)C=C.C=CC(=O)OCCOc1ccccc1.C=CC(=O)OCc1ccccc1
• InChI: InChI=1S/C14H22O4.C14H22O2.C12H18O4.C11H12O3.C11H12O2.C10H10O2.3C10H16.2C6H10O.2C5H8O2/c1-11(2)13(15)17-9-7-5-6-8-10-18-14(16)12(3)4;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2;1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-2-10(11)12-8-9-6-4-3-5-7-9;3*1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-5-6(7)4-2;1-4(2)5(6)7-3;1-3-5(6)7-4-2/h1,3,5-10H2,2,4H3;10-11H,1,6-8H2,2-5H3;3-4H,1-2,5-10H2;2-7H,1,8-9H2;3-7H,1,8H2,2H3;2-7H,1,8H2;3*7-10H,1-6H2;2*4H,2-3,5H2,1H3;1H2,2-3H3;3H,1,4H2,2H3
• InChIKey: YCGVFVLREFKAHU-UHFFFAOYSA-N
• XLogP: 27.18
• TPSA: 306.37 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 40
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2038.78
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?

The IUPAC name of benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 167699034) is benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

What is the SMILES notation for benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?

The canonical SMILES for benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C=C(C)C(=O)OC.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.C=C(C)C(=O)OCc1ccccc1.C=CC(=O)CCC.C=CC(=O)CCC.C=CC(=O)OCC.C=CC(=O)OCCCCCCOC(=O)C=C.C=CC(=O)OCCOc1ccccc1.C=CC(=O)OCc1ccccc1.

What is the InChIKey of benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?

The InChIKey is YCGVFVLREFKAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4.C14H22O2.C12H18O4.C11H12O3.C11H12O2.C10H10O2.3C10H16.2C6H10O.2C5H8O2/c1-11(2)13(15)17-9-7-5-6-8-10-18-14(16)12(3)4;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2;1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-2-10(11)12-8-9-6-4-3-5-7-9;3*1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-5-6(7)4-2;1-4(2)5(6)7-3;1-3-5(6)7-4-2/h1,3,5-10H2,2,4H3;10-11H,1,6-8H2,2-5H3;3-4H,1-2,5-10H2;2-7H,1,8-9H2;3-7H,1,8H2,2H3;2-7H,1,8H2;3*7-10H,1-6H2;2*4H,2-3,5H2,1H3;1H2,2-3H3;3H,1,4H2,2H3.

What are the key properties of benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?

benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 2038.78 g/mol, XLogP of 27.18, 40 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;ethyl prop-2-enoate;bis(hex-1-en-3-one);methyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 167699034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).