ethyl 2-silyloxybut-2-enoate

C6H12O3Si — CID 154172841

IUPACethyl 2-silyloxybut-2-enoate
SMILESCC=C(O[SiH3])C(=O)OCC
InChIInChI=1S/C6H12O3Si/c1-3-5(9-10)6(7)8-4-2/h3H,4H2,1-2,10H3
InChIKeyXIQMTTJLQRGXIM-UHFFFAOYSA-N
MW160.25 g/mol
LogP-0.25
Rot. Bonds3

About ethyl 2-silyloxybut-2-enoate

ethyl 2-silyloxybut-2-enoate (PubChem CID 154172841) has the molecular formula C6H12O3Si and a molecular weight of 160.25 g/mol. Its IUPAC name is ethyl 2-silyloxybut-2-enoate.

Molecular Properties

Compound Nameethyl 2-silyloxybut-2-enoate
PubChem CID154172841
Molecular FormulaC6H12O3Si
Molecular Weight160.25 g/mol
Exact Mass160.06
IUPAC Nameethyl 2-silyloxybut-2-enoate
SMILESCC=C(O[SiH3])C(=O)OCC
InChIInChI=1S/C6H12O3Si/c1-3-5(9-10)6(7)8-4-2/h3H,4H2,1-2,10H3
InChIKeyXIQMTTJLQRGXIM-UHFFFAOYSA-N
XLogP-0.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.25
LogP ≤ 5-0.25
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'}

Analyze ethyl 2-silyloxybut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methoxybut-2-enoate
CID 141457807
3,4-diethoxyhexa-2,4-diene
CID 141009141
CID 159370772
CID 159370772
ethyl (E)-2-fluorobut-2-enoate
CID 15594785
acetylene;diethyl 2-ethylidenepropanedioate
CID 90822746
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
ethyl 3-bromo-2-iodoprop-2-enoate
CID 71382250
diethyl 2-ethylidene-3-oxobutanedioate
CID 123295779
ethyl 2-oxo(213C)propanoate
CID 71309469
(E)-3-[(E)-1-ethoxyprop-1-enyl]hex-3-en-2-one
CID 144530003
carbonic acid;bis(diethyl 2-ethylidenebutanedioate)
CID 175387869
ethyl 3-(dimethylamino)-2-methoxyprop-2-enoate
CID 142611007

Frequently Asked Questions

What is the IUPAC name of ethyl 2-silyloxybut-2-enoate?
The IUPAC name of ethyl 2-silyloxybut-2-enoate (CID 154172841) is ethyl 2-silyloxybut-2-enoate.
What is the SMILES notation for ethyl 2-silyloxybut-2-enoate?
The canonical SMILES for ethyl 2-silyloxybut-2-enoate is CC=C(O[SiH3])C(=O)OCC.
What is the InChIKey of ethyl 2-silyloxybut-2-enoate?
The InChIKey is XIQMTTJLQRGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3Si/c1-3-5(9-10)6(7)8-4-2/h3H,4H2,1-2,10H3.
What are the key properties of ethyl 2-silyloxybut-2-enoate?
ethyl 2-silyloxybut-2-enoate has a molecular weight of 160.25 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-silyloxybut-2-enoate is sourced from PubChem (CID 154172841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).