dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate

C93H173NO11 — CID 170852430

About dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate

dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate (PubChem CID 170852430) has the molecular formula C93H173NO11 and a molecular weight of 1481.40 g/mol. Its IUPAC name is dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate
• PubChem CID: 170852430
• Molecular Formula: C93H173NO11
• Molecular Weight: 1481.40 g/mol
• Exact Mass: 1480.30
• IUPAC Name: dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCC.C=CN1CCCC1=O
• InChI: InChI=1S/C24H46O2.C20H38O2.C19H36O2.C16H30O2.C8H14O2.C6H9NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(20)18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-6(2)5-10-8(9)7(3)4;1-2-7-5-3-4-6(7)8/h2,4-22H2,1,3H3;2,4-18H2,1,3H3;2,4-17H2,1,3H3;2,4-14H2,1,3H3;6H,3,5H2,1-2,4H3;2H,1,3-5H2
• InChIKey: PATNKNSNKBLATK-UHFFFAOYSA-N
• XLogP: 28.47
• TPSA: 151.81 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 67
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.40
LogP ≤ 5	28.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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 dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate?

The IUPAC name of dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate (CID 170852430) is dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate.

What is the SMILES notation for dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate?

The canonical SMILES for dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCC.C=CN1CCCC1=O.

What is the InChIKey of dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate?

The InChIKey is PATNKNSNKBLATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2.C20H38O2.C19H36O2.C16H30O2.C8H14O2.C6H9NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(20)18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-6(2)5-10-8(9)7(3)4;1-2-7-5-3-4-6(7)8/h2,4-22H2,1,3H3;2,4-18H2,1,3H3;2,4-17H2,1,3H3;2,4-14H2,1,3H3;6H,3,5H2,1-2,4H3;2H,1,3-5H2.

What are the key properties of dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate?

dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate has a molecular weight of 1481.40 g/mol, XLogP of 28.47, 67 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dodecyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate is sourced from PubChem (CID 170852430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).