ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate

C13H24O3Si — CID 101028092

IUPACethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
SMILESC=C/C(=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-
InChIKeyGHUWBMFGAVQYNM-KHPPLWFESA-N
MW256.42 g/mol
LogP3.64
Rot. Bonds5

About ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate

ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate (PubChem CID 101028092) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
PubChem CID101028092
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
SMILESC=C/C(=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-
InChIKeyGHUWBMFGAVQYNM-KHPPLWFESA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate?
The IUPAC name of ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate (CID 101028092) is ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate.
What is the SMILES notation for ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate?
The canonical SMILES for ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate is C=C/C(=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate?
The InChIKey is GHUWBMFGAVQYNM-KHPPLWFESA-N. The full InChI is InChI=1S/C13H24O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-.
What are the key properties of ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate?
ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate has a molecular weight of 256.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate is sourced from PubChem (CID 101028092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).