4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one

C13H21F3O4Si — CID 155607237

IUPAC4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCC(C)(C)[Si](C)(C)/C=C/COC1(C(F)(F)F)COC(=O)O1
InChIInChI=1S/C13H21F3O4Si/c1-11(2,3)21(4,5)8-6-7-19-12(13(14,15)16)9-18-10(17)20-12/h6,8H,7,9H2,1-5H3/b8-6+
InChIKeyBJPKCFNRHWRWRG-SOFGYWHQSA-N
MW326.39 g/mol
LogP4.03
Rot. Bonds4

About 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one

4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 155607237) has the molecular formula C13H21F3O4Si and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID155607237
Molecular FormulaC13H21F3O4Si
Molecular Weight326.39 g/mol
Exact Mass326.12
IUPAC Name4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCC(C)(C)[Si](C)(C)/C=C/COC1(C(F)(F)F)COC(=O)O1
InChIInChI=1S/C13H21F3O4Si/c1-11(2,3)21(4,5)8-6-7-19-12(13(14,15)16)9-18-10(17)20-12/h6,8H,7,9H2,1-5H3/b8-6+
InChIKeyBJPKCFNRHWRWRG-SOFGYWHQSA-N
XLogP4.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one (CID 155607237) is 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one is CC(C)(C)[Si](C)(C)/C=C/COC1(C(F)(F)F)COC(=O)O1.
What is the InChIKey of 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is BJPKCFNRHWRWRG-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H21F3O4Si/c1-11(2,3)21(4,5)8-6-7-19-12(13(14,15)16)9-18-10(17)20-12/h6,8H,7,9H2,1-5H3/b8-6+.
What are the key properties of 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 326.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 155607237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).