ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate

C15H30O3Si — CID 11000666

IUPACethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate
SMILESC/C=C/C(CO[Si](C)(C)C(C)(C)C)CC(=O)OCC
InChIInChI=1S/C15H30O3Si/c1-8-10-13(11-14(16)17-9-2)12-18-19(6,7)15(3,4)5/h8,10,13H,9,11-12H2,1-7H3/b10-8+
InChIKeyHUKPVRJHTTYFLT-CSKARUKUSA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds7

About ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate

ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate (PubChem CID 11000666) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate.

Molecular Properties

Compound Nameethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate
PubChem CID11000666
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nameethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate
SMILESC/C=C/C(CO[Si](C)(C)C(C)(C)C)CC(=O)OCC
InChIInChI=1S/C15H30O3Si/c1-8-10-13(11-14(16)17-9-2)12-18-19(6,7)15(3,4)5/h8,10,13H,9,11-12H2,1-7H3/b10-8+
InChIKeyHUKPVRJHTTYFLT-CSKARUKUSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate?
The IUPAC name of ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate (CID 11000666) is ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate.
What is the SMILES notation for ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate?
The canonical SMILES for ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate is C/C=C/C(CO[Si](C)(C)C(C)(C)C)CC(=O)OCC.
What is the InChIKey of ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate?
The InChIKey is HUKPVRJHTTYFLT-CSKARUKUSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-10-13(11-14(16)17-9-2)12-18-19(6,7)15(3,4)5/h8,10,13H,9,11-12H2,1-7H3/b10-8+.
What are the key properties of ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate?
ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-4-enoate is sourced from PubChem (CID 11000666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).