[1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate

C24H39O10P — CID 139762333

About [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate

[1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate (PubChem CID 139762333) has the molecular formula C24H39O10P and a molecular weight of 518.54 g/mol. Its IUPAC name is [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate
• PubChem CID: 139762333
• Molecular Formula: C24H39O10P
• Molecular Weight: 518.54 g/mol
• Exact Mass: 518.23
• IUPAC Name: [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(OP(=O)(OC(OC(=O)C(=C)C)C(C)C)OC(OC(=O)C(=C)C)C(C)C)C(C)C
• InChI: InChI=1S/C24H39O10P/c1-13(2)19(25)29-22(16(7)8)32-35(28,33-23(17(9)10)30-20(26)14(3)4)34-24(18(11)12)31-21(27)15(5)6/h16-18,22-24H,1,3,5H2,2,4,6-12H3
• InChIKey: GGWPZPNHTROZJY-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 123.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.54
LogP ≤ 5	5.45
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate?

The IUPAC name of [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate (CID 139762333) is [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate.

What is the SMILES notation for [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate?

The canonical SMILES for [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(OP(=O)(OC(OC(=O)C(=C)C)C(C)C)OC(OC(=O)C(=C)C)C(C)C)C(C)C.

What is the InChIKey of [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate?

The InChIKey is GGWPZPNHTROZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39O10P/c1-13(2)19(25)29-22(16(7)8)32-35(28,33-23(17(9)10)30-20(26)14(3)4)34-24(18(11)12)31-21(27)15(5)6/h16-18,22-24H,1,3,5H2,2,4,6-12H3.

What are the key properties of [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate?

[1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate has a molecular weight of 518.54 g/mol, XLogP of 5.45, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-bis[2-methyl-1-(2-methylprop-2-enoyloxy)propoxy]phosphoryloxy-2-methylpropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139762333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).