ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate

C15H30O4Si — CID 15105040

IUPACethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate
SMILESCCOC(=O)[C@@H](C)[C@H]1OCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-8-17-14(16)11(2)13-12(9-10-18-13)19-20(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12-,13+/m0/s1
InChIKeyKQQHGOOFNURFOH-RWMBFGLXSA-N
MW302.49 g/mol
LogP3.36
Rot. Bonds5

About ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate

ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate (PubChem CID 15105040) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate
PubChem CID15105040
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate
SMILESCCOC(=O)[C@@H](C)[C@H]1OCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-8-17-14(16)11(2)13-12(9-10-18-13)19-20(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12-,13+/m0/s1
InChIKeyKQQHGOOFNURFOH-RWMBFGLXSA-N
XLogP3.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.36
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 ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate?
The IUPAC name of ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate (CID 15105040) is ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate.
What is the SMILES notation for ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate?
The canonical SMILES for ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate is CCOC(=O)[C@@H](C)[C@H]1OCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate?
The InChIKey is KQQHGOOFNURFOH-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-17-14(16)11(2)13-12(9-10-18-13)19-20(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12-,13+/m0/s1.
What are the key properties of ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate?
ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate has a molecular weight of 302.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate is sourced from PubChem (CID 15105040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).