bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)

C184H354F34O60Si8 — CID 161054783

IUPACbis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)
SMILESCCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.CCC(C)(C)C(=O)OCCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)C(=O)O.CCC(C)C(=O)O.CCC(C)C(=O)OCCC(F)(F)C(F)(F)F.CCC(C)C(=O)OCCC(F)(F)C(F)(F)F.FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/2C47H94O22.2C18H44O2Si4.2C9H13F5O2.2C7H14O2.2C6H2F12.2C5H10O2/c2*1-5-47(2,3)46(48)69-45-44-68-43-42-67-41-40-66-39-38-65-37-36-64-35-34-63-33-32-62-31-30-61-29-28-60-27-26-59-25-24-58-23-22-57-21-20-56-19-18-55-17-16-54-15-14-53-13-12-52-11-10-51-9-8-50-7-6-49-4;2*1-13-18(2,3)17(19)20-15-14-16-24(21(4,5)6,22(7,8)9)23(10,11)12;2*1-3-6(2)7(15)16-5-4-8(10,11)9(12,13)14;2*1-5-7(2,3)6(8)9-4;2*7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10;2*1-3-4(2)5(6)7/h2*5-45H2,1-4H3;2*13-16H2,1-12H3;2*6H,3-5H2,1-2H3;2*5H2,1-4H3;2*1-2H;2*4H,3H2,1-2H3,(H,6,7)
InChIKeyUCPIPNQKQYOYIR-UHFFFAOYSA-N
MW4397.42 g/mol
LogP35.83
Rot. Bonds170

About bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)

bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) (PubChem CID 161054783) has the molecular formula C184H354F34O60Si8 and a molecular weight of 4397.42 g/mol. Its IUPAC name is bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate).

Molecular Properties

Compound Namebis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)
PubChem CID161054783
Molecular FormulaC184H354F34O60Si8
Molecular Weight4397.42 g/mol
Exact Mass4394.23
IUPAC Namebis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)
SMILESCCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.CCC(C)(C)C(=O)OCCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)C(=O)O.CCC(C)C(=O)O.CCC(C)C(=O)OCCC(F)(F)C(F)(F)F.CCC(C)C(=O)OCCC(F)(F)C(F)(F)F.FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/2C47H94O22.2C18H44O2Si4.2C9H13F5O2.2C7H14O2.2C6H2F12.2C5H10O2/c2*1-5-47(2,3)46(48)69-45-44-68-43-42-67-41-40-66-39-38-65-37-36-64-35-34-63-33-32-62-31-30-61-29-28-60-27-26-59-25-24-58-23-22-57-21-20-56-19-18-55-17-16-54-15-14-53-13-12-52-11-10-51-9-8-50-7-6-49-4;2*1-13-18(2,3)17(19)20-15-14-16-24(21(4,5)6,22(7,8)9)23(10,11)12;2*1-3-6(2)7(15)16-5-4-8(10,11)9(12,13)14;2*1-5-7(2,3)6(8)9-4;2*7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10;2*1-3-4(2)5(6)7/h2*5-45H2,1-4H3;2*13-16H2,1-12H3;2*6H,3-5H2,1-2H3;2*5H2,1-4H3;2*1-2H;2*4H,3H2,1-2H3,(H,6,7)
InChIKeyUCPIPNQKQYOYIR-UHFFFAOYSA-N
XLogP35.83
TPSA654.20 Ų
H-Bond Donors2
H-Bond Acceptors58
Rotatable Bonds170
Heavy Atoms286
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004397.42
LogP ≤ 535.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1058

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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)?
The IUPAC name of bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) (CID 161054783) is bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate).
What is the SMILES notation for bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)?
The canonical SMILES for bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) is CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.CCC(C)(C)C(=O)OCCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)C(=O)O.CCC(C)C(=O)O.CCC(C)C(=O)OCCC(F)(F)C(F)(F)F.CCC(C)C(=O)OCCC(F)(F)C(F)(F)F.FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)?
The InChIKey is UCPIPNQKQYOYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H94O22.2C18H44O2Si4.2C9H13F5O2.2C7H14O2.2C6H2F12.2C5H10O2/c2*1-5-47(2,3)46(48)69-45-44-68-43-42-67-41-40-66-39-38-65-37-36-64-35-34-63-33-32-62-31-30-61-29-28-60-27-26-59-25-24-58-23-22-57-21-20-56-19-18-55-17-16-54-15-14-53-13-12-52-11-10-51-9-8-50-7-6-49-4;2*1-13-18(2,3)17(19)20-15-14-16-24(21(4,5)6,22(7,8)9)23(10,11)12;2*1-3-6(2)7(15)16-5-4-8(10,11)9(12,13)14;2*1-5-7(2,3)6(8)9-4;2*7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10;2*1-3-4(2)5(6)7/h2*5-45H2,1-4H3;2*13-16H2,1-12H3;2*6H,3-5H2,1-2H3;2*5H2,1-4H3;2*1-2H;2*4H,3H2,1-2H3,(H,6,7).
What are the key properties of bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)?
bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) has a molecular weight of 4397.42 g/mol, XLogP of 35.83, 170 rotatable bonds, 2 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) is sourced from PubChem (CID 161054783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).