ethyl 2-silyloxybut-3-enoate

C6H12O3Si — CID 174696626

IUPACethyl 2-silyloxybut-3-enoate
SMILESC=CC(O[SiH3])C(=O)OCC
InChIInChI=1S/C6H12O3Si/c1-3-5(9-10)6(7)8-4-2/h3,5H,1,4H2,2,10H3
InChIKeyZGMMJZFYIBEOEL-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.60
Rot. Bonds4

About ethyl 2-silyloxybut-3-enoate

ethyl 2-silyloxybut-3-enoate (PubChem CID 174696626) has the molecular formula C6H12O3Si and a molecular weight of 160.24 g/mol. Its IUPAC name is ethyl 2-silyloxybut-3-enoate.

Molecular Properties

Compound Nameethyl 2-silyloxybut-3-enoate
PubChem CID174696626
Molecular FormulaC6H12O3Si
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Nameethyl 2-silyloxybut-3-enoate
SMILESC=CC(O[SiH3])C(=O)OCC
InChIInChI=1S/C6H12O3Si/c1-3-5(9-10)6(7)8-4-2/h3,5H,1,4H2,2,10H3
InChIKeyZGMMJZFYIBEOEL-UHFFFAOYSA-N
XLogP-0.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.60
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 2-silyloxybut-3-enoate?
The IUPAC name of ethyl 2-silyloxybut-3-enoate (CID 174696626) is ethyl 2-silyloxybut-3-enoate.
What is the SMILES notation for ethyl 2-silyloxybut-3-enoate?
The canonical SMILES for ethyl 2-silyloxybut-3-enoate is C=CC(O[SiH3])C(=O)OCC.
What is the InChIKey of ethyl 2-silyloxybut-3-enoate?
The InChIKey is ZGMMJZFYIBEOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3Si/c1-3-5(9-10)6(7)8-4-2/h3,5H,1,4H2,2,10H3.
What are the key properties of ethyl 2-silyloxybut-3-enoate?
ethyl 2-silyloxybut-3-enoate has a molecular weight of 160.24 g/mol, XLogP of -0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-silyloxybut-3-enoate is sourced from PubChem (CID 174696626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).