ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate

C13H23F3O3Si — CID 171836003

IUPACethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate
SMILESCCOC(=O)/C=C(/CO[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H23F3O3Si/c1-7-18-11(17)8-10(13(14,15)16)9-19-20(5,6)12(2,3)4/h8H,7,9H2,1-6H3/b10-8-
InChIKeyADMWMMMAWDEOMC-NTMALXAHSA-N
MW312.40 g/mol
LogP4.06
Rot. Bonds5

About ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate

ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate (PubChem CID 171836003) has the molecular formula C13H23F3O3Si and a molecular weight of 312.40 g/mol. Its IUPAC name is ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate
PubChem CID171836003
Molecular FormulaC13H23F3O3Si
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Nameethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate
SMILESCCOC(=O)/C=C(/CO[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H23F3O3Si/c1-7-18-11(17)8-10(13(14,15)16)9-19-20(5,6)12(2,3)4/h8H,7,9H2,1-6H3/b10-8-
InChIKeyADMWMMMAWDEOMC-NTMALXAHSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate?
The IUPAC name of ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate (CID 171836003) is ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate?
The canonical SMILES for ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate is CCOC(=O)/C=C(/CO[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate?
The InChIKey is ADMWMMMAWDEOMC-NTMALXAHSA-N. The full InChI is InChI=1S/C13H23F3O3Si/c1-7-18-11(17)8-10(13(14,15)16)9-19-20(5,6)12(2,3)4/h8H,7,9H2,1-6H3/b10-8-.
What are the key properties of ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate?
ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate has a molecular weight of 312.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate is sourced from PubChem (CID 171836003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).