tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

C70H104O12 — CID 167701423

About tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 167701423) has the molecular formula C70H104O12 and a molecular weight of 1137.59 g/mol. Its IUPAC name is tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• PubChem CID: 167701423
• Molecular Formula: C70H104O12
• Molecular Weight: 1137.59 g/mol
• Exact Mass: 1136.75
• IUPAC Name: tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(c2ccccc2)CCCCC1
• InChI: InChI=1S/C16H20O2.C13H16O2.C12H20O2.C11H18O2.C10H16O2.C8H14O2/c1-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-3-6-10-14;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;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;1-6(2)7(9)10-8(3,4)5/h3,5-6,9-10H,1,4,7-8,11-12H2,2H3;5-9H,1H2,2-4H3;10H,1,5-8H2,2-4H3;2,4-8H2,1,3H3;1,4-7H2,2-3H3;1H2,2-5H3
• InChIKey: YLGPTLIKTXSCAE-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.59
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The IUPAC name of tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (CID 167701423) is tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

What is the SMILES notation for tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The canonical SMILES for tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(c2ccccc2)CCCCC1.

What is the InChIKey of tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The InChIKey is YLGPTLIKTXSCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2.C13H16O2.C12H20O2.C11H18O2.C10H16O2.C8H14O2/c1-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-3-6-10-14;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;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;1-6(2)7(9)10-8(3,4)5/h3,5-6,9-10H,1,4,7-8,11-12H2,2H3;5-9H,1H2,2-4H3;10H,1,5-8H2,2-4H3;2,4-8H2,1,3H3;1,4-7H2,2-3H3;1H2,2-5H3.

What are the key properties of tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 1137.59 g/mol, XLogP of 17.25, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 167701423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).