3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate

C21H39F9O5Si4 — CID 141294200

IUPAC3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](O[Si](C)(C)CCC(F)(F)F)(O[Si](C)(C)CCC(F)(F)F)O[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C21H39F9O5Si4/c1-8-18(31)32-13-9-14-39(33-36(2,3)15-10-19(22,23)24,34-37(4,5)16-11-20(25,26)27)35-38(6,7)17-12-21(28,29)30/h8H,1,9-17H2,2-7H3
InChIKeyMTSYCLQAXATESL-UHFFFAOYSA-N
MW654.86 g/mol
LogP8.57
Rot. Bonds17

About 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate

3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate (PubChem CID 141294200) has the molecular formula C21H39F9O5Si4 and a molecular weight of 654.86 g/mol. Its IUPAC name is 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate.

Molecular Properties

Compound Name3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate
PubChem CID141294200
Molecular FormulaC21H39F9O5Si4
Molecular Weight654.86 g/mol
Exact Mass654.17
IUPAC Name3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](O[Si](C)(C)CCC(F)(F)F)(O[Si](C)(C)CCC(F)(F)F)O[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C21H39F9O5Si4/c1-8-18(31)32-13-9-14-39(33-36(2,3)15-10-19(22,23)24,34-37(4,5)16-11-20(25,26)27)35-38(6,7)17-12-21(28,29)30/h8H,1,9-17H2,2-7H3
InChIKeyMTSYCLQAXATESL-UHFFFAOYSA-N
XLogP8.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 166010478
3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate
CID 167649893
3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87282260
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
3-tris[[ethenyl(dimethoxy)silyl]oxy]silylpropyl prop-2-enoate
CID 142752557
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
3-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 150144614
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814

Frequently Asked Questions

What is the IUPAC name of 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate?
The IUPAC name of 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate (CID 141294200) is 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate.
What is the SMILES notation for 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate?
The canonical SMILES for 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate is C=CC(=O)OCCC[Si](O[Si](C)(C)CCC(F)(F)F)(O[Si](C)(C)CCC(F)(F)F)O[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate?
The InChIKey is MTSYCLQAXATESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39F9O5Si4/c1-8-18(31)32-13-9-14-39(33-36(2,3)15-10-19(22,23)24,34-37(4,5)16-11-20(25,26)27)35-38(6,7)17-12-21(28,29)30/h8H,1,9-17H2,2-7H3.
What are the key properties of 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate?
3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate has a molecular weight of 654.86 g/mol, XLogP of 8.57, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate is sourced from PubChem (CID 141294200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).