lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate

C16H30LiNO2SSi2 — CID 173369707

IUPAClithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate
SMILESCC=C(C(=O)OCC)c1cccs1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]
InChIInChI=1S/C10H12O2S.C6H18NSi2.Li/c1-3-8(10(11)12-4-2)9-6-5-7-13-9;1-8(2,3)7-9(4,5)6;/h3,5-7H,4H2,1-2H3;1-6H3;/q;-1;+1
InChIKeyIOAUVODAOVPPCA-UHFFFAOYSA-N
MW363.60 g/mol
LogP2.75
Rot. Bonds5

About lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate

lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate (PubChem CID 173369707) has the molecular formula C16H30LiNO2SSi2 and a molecular weight of 363.60 g/mol. Its IUPAC name is lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate.

Molecular Properties

Compound Namelithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate
PubChem CID173369707
Molecular FormulaC16H30LiNO2SSi2
Molecular Weight363.60 g/mol
Exact Mass363.17
IUPAC Namelithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate
SMILESCC=C(C(=O)OCC)c1cccs1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]
InChIInChI=1S/C10H12O2S.C6H18NSi2.Li/c1-3-8(10(11)12-4-2)9-6-5-7-13-9;1-8(2,3)7-9(4,5)6;/h3,5-7H,4H2,1-2H3;1-6H3;/q;-1;+1
InChIKeyIOAUVODAOVPPCA-UHFFFAOYSA-N
XLogP2.75
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.60
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lithium ethyl 3-methyl-2,4-dioxo-4-thiophen-2-ylbutanoate
CID 24805542
(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one
CID 15669497
ethyl 2-(2-aminophenyl)but-2-enoate
CID 165178823
ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
CID 90711977
ethyl 4-bromo-3-thiophen-2-ylbut-2-enoate
CID 66725880
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
ethoxycarbonyl thiophene-2-carboxylate
CID 174341165
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl (E)-3-(1-thiophen-2-ylethenyl)hept-2-enoate
CID 11207797
ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate
CID 13255863
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196

Frequently Asked Questions

What is the IUPAC name of lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate?
The IUPAC name of lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate (CID 173369707) is lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate.
What is the SMILES notation for lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate?
The canonical SMILES for lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate is CC=C(C(=O)OCC)c1cccs1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].
What is the InChIKey of lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate?
The InChIKey is IOAUVODAOVPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S.C6H18NSi2.Li/c1-3-8(10(11)12-4-2)9-6-5-7-13-9;1-8(2,3)7-9(4,5)6;/h3,5-7H,4H2,1-2H3;1-6H3;/q;-1;+1.
What are the key properties of lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate?
lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate has a molecular weight of 363.60 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate is sourced from PubChem (CID 173369707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).