ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate

C15H30O4Si — CID 45100767

IUPACethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
SMILESC=CC(C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-9-13(7)18-20(11(3)4,12(5)6)19-14(8)15(16)17-10-2/h9,11-14H,1,10H2,2-8H3/t13?,14-/m0/s1
InChIKeyIVDLHXOJYYPDHQ-KZUDCZAMSA-N
MW302.49 g/mol
LogP3.81
Rot. Bonds9

About ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate

ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate (PubChem CID 45100767) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
PubChem CID45100767
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
SMILESC=CC(C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-9-13(7)18-20(11(3)4,12(5)6)19-14(8)15(16)17-10-2/h9,11-14H,1,10H2,2-8H3/t13?,14-/m0/s1
InChIKeyIVDLHXOJYYPDHQ-KZUDCZAMSA-N
XLogP3.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.81
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'}

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Related Compounds

[(E,2R)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
CID 14715813
2-Allyloxypropionic acid trimethylsilyl ester
CID 54107693
2-Propenyl 2-(trimethylsilyloxy)propionate
CID 86667393
3-[tert-butyl(dimethyl)silyl]oxy-3H-furan-2-one
CID 129996567
[Diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate
CID 151882777
Methyl 2-trimethylsilyloxybut-3-enoate
CID 156672558
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674
2-Trimethylsilylethyl 2-formyloxybut-3-enoate
CID 173253958
[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate
CID 10610211
Ethyl 2-trimethylsilyloxypent-4-enoate
CID 11063854
[(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
CID 14715815
methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
CID 15350846

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The IUPAC name of ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate (CID 45100767) is ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The canonical SMILES for ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate is C=CC(C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C.
What is the InChIKey of ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The InChIKey is IVDLHXOJYYPDHQ-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-9-13(7)18-20(11(3)4,12(5)6)19-14(8)15(16)17-10-2/h9,11-14H,1,10H2,2-8H3/t13?,14-/m0/s1.
What are the key properties of ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate?
ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate has a molecular weight of 302.49 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate is sourced from PubChem (CID 45100767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).