ethyl 3-triethylsilylbut-3-enoate

C12H24O2Si — CID 146162379

IUPACethyl 3-triethylsilylbut-3-enoate
SMILESC=C(CC(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C12H24O2Si/c1-6-14-12(13)10-11(5)15(7-2,8-3)9-4/h5-10H2,1-4H3
InChIKeyNHWBVNZXBWZAJB-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds7

About ethyl 3-triethylsilylbut-3-enoate

ethyl 3-triethylsilylbut-3-enoate (PubChem CID 146162379) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is ethyl 3-triethylsilylbut-3-enoate.

Molecular Properties

Compound Nameethyl 3-triethylsilylbut-3-enoate
PubChem CID146162379
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nameethyl 3-triethylsilylbut-3-enoate
SMILESC=C(CC(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C12H24O2Si/c1-6-14-12(13)10-11(5)15(7-2,8-3)9-4/h5-10H2,1-4H3
InChIKeyNHWBVNZXBWZAJB-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 3-methyl-2-(trimethylsilyl)but-3-enoate
CID 12869999
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
AG-G-75877
CID 11769254
Ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979602
Ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 10945060
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
Methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979604
Propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979605

Frequently Asked Questions

What is the IUPAC name of ethyl 3-triethylsilylbut-3-enoate?
The IUPAC name of ethyl 3-triethylsilylbut-3-enoate (CID 146162379) is ethyl 3-triethylsilylbut-3-enoate.
What is the SMILES notation for ethyl 3-triethylsilylbut-3-enoate?
The canonical SMILES for ethyl 3-triethylsilylbut-3-enoate is C=C(CC(=O)OCC)[Si](CC)(CC)CC.
What is the InChIKey of ethyl 3-triethylsilylbut-3-enoate?
The InChIKey is NHWBVNZXBWZAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-6-14-12(13)10-11(5)15(7-2,8-3)9-4/h5-10H2,1-4H3.
What are the key properties of ethyl 3-triethylsilylbut-3-enoate?
ethyl 3-triethylsilylbut-3-enoate has a molecular weight of 228.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-triethylsilylbut-3-enoate is sourced from PubChem (CID 146162379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).