ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate

C17H30O4Si — CID 72543848

IUPACethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)OCC)OC1
InChIInChI=1S/C17H30O4Si/c1-8-10-13-12-20-15(16(18)19-9-2)11-14(13)21-22(6,7)17(3,4)5/h8,15H,1,9-12H2,2-7H3/t15-/m0/s1
InChIKeyBQVGRUZCPZPFRW-HNNXBMFYSA-N
MW326.51 g/mol
LogP4.19
Rot. Bonds6

About ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 72543848) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID72543848
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Nameethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)OCC)OC1
InChIInChI=1S/C17H30O4Si/c1-8-10-13-12-20-15(16(18)19-9-2)11-14(13)21-22(6,7)17(3,4)5/h8,15H,1,9-12H2,2-7H3/t15-/m0/s1
InChIKeyBQVGRUZCPZPFRW-HNNXBMFYSA-N
XLogP4.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate 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 (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 72543848) is ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate is C=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)OCC)OC1.
What is the InChIKey of ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is BQVGRUZCPZPFRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-8-10-13-12-20-15(16(18)19-9-2)11-14(13)21-22(6,7)17(3,4)5/h8,15H,1,9-12H2,2-7H3/t15-/m0/s1.
What are the key properties of ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 326.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 72543848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).