2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate

C12H23F3O3Si2 — CID 123513467

IUPAC2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)[Si](C)(C)O[SiH2]CCC(F)(F)F
InChIInChI=1S/C12H23F3O3Si2/c1-9(2)10(16)17-11(3,4)20(5,6)18-19-8-7-12(13,14)15/h1,7-8,19H2,2-6H3
InChIKeyFIIAKCGPPSNLSJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.10
Rot. Bonds7

About 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate

2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate (PubChem CID 123513467) has the molecular formula C12H23F3O3Si2 and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate
PubChem CID123513467
Molecular FormulaC12H23F3O3Si2
Molecular Weight328.48 g/mol
Exact Mass328.11
IUPAC Name2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)[Si](C)(C)O[SiH2]CCC(F)(F)F
InChIInChI=1S/C12H23F3O3Si2/c1-9(2)10(16)17-11(3,4)20(5,6)18-19-8-7-12(13,14)15/h1,7-8,19H2,2-6H3
InChIKeyFIIAKCGPPSNLSJ-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-methoxysilyl-1,1-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 173124808
(1,2,2,3,3,3-hexafluoro-1-hydroxypropyl) 2-methylprop-2-enoate
CID 174727333
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)heptan-4-yl] 2-methylprop-2-enoate
CID 90253905
1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate
CID 123374776
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 139619196
1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecyl 2-methylprop-2-enoate
CID 168875432
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
1,4,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071252
(7,7,7-trifluoro-2,2-dimethylheptan-3-yl) 2-methylprop-2-enoate
CID 170129104

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate (CID 123513467) is 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)[Si](C)(C)O[SiH2]CCC(F)(F)F.
What is the InChIKey of 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate?
The InChIKey is FIIAKCGPPSNLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O3Si2/c1-9(2)10(16)17-11(3,4)20(5,6)18-19-8-7-12(13,14)15/h1,7-8,19H2,2-6H3.
What are the key properties of 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate?
2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate has a molecular weight of 328.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(3,3,3-trifluoropropylsilyloxy)silyl]propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 123513467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).