[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate

C32H30F12O12 — CID 118919135

About [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate

[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate (PubChem CID 118919135) has the molecular formula C32H30F12O12 and a molecular weight of 834.56 g/mol. Its IUPAC name is [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate.

Molecular Properties

• Compound Name: [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
• PubChem CID: 118919135
• Molecular Formula: C32H30F12O12
• Molecular Weight: 834.56 g/mol
• Exact Mass: 834.15
• IUPAC Name: [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
• SMILES: C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
• InChI: InChI=1S/C32H30F12O12/c1-7-19(45)51-13-25(14-52-20(46)8-2,15-53-21(47)9-3)27(33,34)29(37,38)31(41,42)32(43,44)30(39,40)28(35,36)26(16-54-22(48)10-4,17-55-23(49)11-5)18-56-24(50)12-6/h7-12H,1-6,13-18H2
• InChIKey: WRGJOPBZASBUIW-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	834.56
LogP ≤ 5	5.15
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate?

The IUPAC name of [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate (CID 118919135) is [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate.

What is the SMILES notation for [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate?

The canonical SMILES for [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate is C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.

What is the InChIKey of [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate?

The InChIKey is WRGJOPBZASBUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F12O12/c1-7-19(45)51-13-25(14-52-20(46)8-2,15-53-21(47)9-3)27(33,34)29(37,38)31(41,42)32(43,44)30(39,40)28(35,36)26(16-54-22(48)10-4,17-55-23(49)11-5)18-56-24(50)12-6/h7-12H,1-6,13-18H2.

What are the key properties of [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate?

[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate has a molecular weight of 834.56 g/mol, XLogP of 5.15, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate is sourced from PubChem (CID 118919135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).