2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate

C30H44O10 — CID 19001192

About 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate

2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate (PubChem CID 19001192) has the molecular formula C30H44O10 and a molecular weight of 564.67 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
• PubChem CID: 19001192
• Molecular Formula: C30H44O10
• Molecular Weight: 564.67 g/mol
• Exact Mass: 564.29
• IUPAC Name: 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(C)(C)C.C=C(C)C(=O)OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
• InChI: InChI=1S/C21H28O8.C9H16O2/c1-13(2)17(22)26-9-21(10-27-18(23)14(3)4,11-28-19(24)15(5)6)12-29-20(25)16(7)8;1-7(2)8(10)11-6-9(3,4)5/h1,3,5,7,9-12H2,2,4,6,8H3;1,6H2,2-5H3
• InChIKey: JKYALNKTWJQYKW-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 131.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.67
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?

The IUPAC name of 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate (CID 19001192) is 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate.

What is the SMILES notation for 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?

The canonical SMILES for 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)C.C=C(C)C(=O)OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C.

What is the InChIKey of 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?

The InChIKey is JKYALNKTWJQYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O8.C9H16O2/c1-13(2)17(22)26-9-21(10-27-18(23)14(3)4,11-28-19(24)15(5)6)12-29-20(25)16(7)8;1-7(2)8(10)11-6-9(3,4)5/h1,3,5,7,9-12H2,2,4,6,8H3;1,6H2,2-5H3.

What are the key properties of 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?

2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate has a molecular weight of 564.67 g/mol, XLogP of 4.60, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 19001192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).