4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate

C62H98N2O32Si2 — CID 159808545

About 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate

4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate (PubChem CID 159808545) has the molecular formula C62H98N2O32Si2 and a molecular weight of 1439.62 g/mol. Its IUPAC name is 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate.

Molecular Properties

• Compound Name: 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate
• PubChem CID: 159808545
• Molecular Formula: C62H98N2O32Si2
• Molecular Weight: 1439.62 g/mol
• Exact Mass: 1438.56
• IUPAC Name: 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate
• SMILES: C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CCC(=O)OCC(O)COCCC[Si](OC)(OC)OC.C=CC(=O)OCCCN=C=O.C=CC(=O)OCCCNC(=O)OC(COCCC[Si](OC)(OC)OC)COC(=O)CCC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C
• InChI: InChI=1S/C31H49NO16Si.C24H40O13Si.C7H9NO3/c1-9-26(33)43-16-10-14-32-31(38)48-24(18-42-15-11-17-49(39-6,40-7)41-8)19-44-27(34)12-13-28(35)47-25(20-45-29(36)22(2)3)21-46-30(37)23(4)5;1-17(2)23(28)35-15-20(16-36-24(29)18(3)4)37-22(27)10-9-21(26)34-14-19(25)13-33-11-8-12-38(30-5,31-6)32-7;1-2-7(10)11-5-3-4-8-6-9/h9,24-25H,1-2,4,10-21H2,3,5-8H3,(H,32,38);19-20,25H,1,3,8-16H2,2,4-7H3;2H,1,3-5H2
• InChIKey: NKSISXCMKLNZGZ-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 424.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 53
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1439.62
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate?

The IUPAC name of 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate (CID 159808545) is 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate.

What is the SMILES notation for 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate?

The canonical SMILES for 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate is C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CCC(=O)OCC(O)COCCC[Si](OC)(OC)OC.C=CC(=O)OCCCN=C=O.C=CC(=O)OCCCNC(=O)OC(COCCC[Si](OC)(OC)OC)COC(=O)CCC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C.

What is the InChIKey of 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate?

The InChIKey is NKSISXCMKLNZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO16Si.C24H40O13Si.C7H9NO3/c1-9-26(33)43-16-10-14-32-31(38)48-24(18-42-15-11-17-49(39-6,40-7)41-8)19-44-27(34)12-13-28(35)47-25(20-45-29(36)22(2)3)21-46-30(37)23(4)5;1-17(2)23(28)35-15-20(16-36-24(29)18(3)4)37-22(27)10-9-21(26)34-14-19(25)13-33-11-8-12-38(30-5,31-6)32-7;1-2-7(10)11-5-3-4-8-6-9/h9,24-25H,1-2,4,10-21H2,3,5-8H3,(H,32,38);19-20,25H,1,3,8-16H2,2,4-7H3;2H,1,3-5H2.

What are the key properties of 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate?

4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate has a molecular weight of 1439.62 g/mol, XLogP of 3.51, 53 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate is sourced from PubChem (CID 159808545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).