(E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate

C15H23F6O5Si2- — CID 151396302

IUPAC(E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate
SMILESC[Si](C)(C)O[Si](C)(C)C(CCOC(=O)/C=C/C(=O)[O-])C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6O5Si2/c1-27(2,3)26-28(4,5)10(13(14(16,17)18)15(19,20)21)8-9-25-12(24)7-6-11(22)23/h6-7,10,13H,8-9H2,1-5H3,(H,22,23)/p-1/b7-6+
InChIKeyOVNJJLOLKUQQOK-VOTSOKGWSA-M
MW453.50 g/mol
LogP3.39
Rot. Bonds9

About (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate

(E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate (PubChem CID 151396302) has the molecular formula C15H23F6O5Si2- and a molecular weight of 453.50 g/mol. Its IUPAC name is (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate.

Molecular Properties

Compound Name(E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate
PubChem CID151396302
Molecular FormulaC15H23F6O5Si2-
Molecular Weight453.50 g/mol
Exact Mass453.10
IUPAC Name(E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate
SMILESC[Si](C)(C)O[Si](C)(C)C(CCOC(=O)/C=C/C(=O)[O-])C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6O5Si2/c1-27(2,3)26-28(4,5)10(13(14(16,17)18)15(19,20)21)8-9-25-12(24)7-6-11(22)23/h6-7,10,13H,8-9H2,1-5H3,(H,22,23)/p-1/b7-6+
InChIKeyOVNJJLOLKUQQOK-VOTSOKGWSA-M
XLogP3.39
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(4-(2-methoxyethoxy)-4-oxobut-2-enoate)
CID 162085133
strontium bis((E)-4-oxo-4-propoxybut-2-enoate)
CID 11524184
4-oxo-4-(1,1,1-trifluoropropan-2-yloxy)but-2-enoate
CID 154093639
(E)-4-oxo-4-(4,4,5,5,5-pentafluoropentoxy)but-2-enoate
CID 7108571
4-oxo-4-(1,1,1-trifluorohexan-2-yloxy)but-2-enoate
CID 154190011
(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate
CID 59904350
4-oxo-4-(2,2,3,3-tetrafluoropropoxy)but-2-enoate
CID 71381327
bis((Z)-4-butoxy-4-oxobut-2-enoate);dibutyltin(2+)
CID 87061345
6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate
CID 71402827
4-oxo-4-[1,1,1-trifluoro-2-(trifluoromethyl)-5-trimethylsilylpentan-3-yl]oxybut-2-enoic acid
CID 54139346
CID 170842048
CID 170842048
dibutyltin(2+);bis((E)-4-octoxy-4-oxobut-2-enoate)
CID 22930302

Frequently Asked Questions

What is the IUPAC name of (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate?
The IUPAC name of (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate (CID 151396302) is (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate.
What is the SMILES notation for (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate?
The canonical SMILES for (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate is C[Si](C)(C)O[Si](C)(C)C(CCOC(=O)/C=C/C(=O)[O-])C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate?
The InChIKey is OVNJJLOLKUQQOK-VOTSOKGWSA-M. The full InChI is InChI=1S/C15H24F6O5Si2/c1-27(2,3)26-28(4,5)10(13(14(16,17)18)15(19,20)21)8-9-25-12(24)7-6-11(22)23/h6-7,10,13H,8-9H2,1-5H3,(H,22,23)/p-1/b7-6+.
What are the key properties of (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate?
(E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate has a molecular weight of 453.50 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[3-[dimethyl(trimethylsilyloxy)silyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentoxy]-4-oxobut-2-enoate is sourced from PubChem (CID 151396302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).