lithium 3-(trimethylsilylmethyl)but-3-en-2-olate

C8H17LiOSi — CID 135084968

IUPAClithium 3-(trimethylsilylmethyl)but-3-en-2-olate
SMILESC=C(C[Si](C)(C)C)C(C)[O-].[Li+]
InChIInChI=1S/C8H17OSi.Li/c1-7(8(2)9)6-10(3,4)5;/h8H,1,6H2,2-5H3;/q-1;+1
InChIKeyPLJRRNXYOSVTEW-UHFFFAOYSA-N
MW164.25 g/mol
LogP-1.37
Rot. Bonds3

About lithium 3-(trimethylsilylmethyl)but-3-en-2-olate

lithium 3-(trimethylsilylmethyl)but-3-en-2-olate (PubChem CID 135084968) has the molecular formula C8H17LiOSi and a molecular weight of 164.25 g/mol. Its IUPAC name is lithium 3-(trimethylsilylmethyl)but-3-en-2-olate.

Molecular Properties

Compound Namelithium 3-(trimethylsilylmethyl)but-3-en-2-olate
PubChem CID135084968
Molecular FormulaC8H17LiOSi
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Namelithium 3-(trimethylsilylmethyl)but-3-en-2-olate
SMILESC=C(C[Si](C)(C)C)C(C)[O-].[Li+]
InChIInChI=1S/C8H17OSi.Li/c1-7(8(2)9)6-10(3,4)5;/h8H,1,6H2,2-5H3;/q-1;+1
InChIKeyPLJRRNXYOSVTEW-UHFFFAOYSA-N
XLogP-1.37
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(But-3-en-2-yl)oxy](tert-butyl)dimethylsilane
CID 13307471
Silane, (1,1-dimethylethyl)[(1-ethenyl-2-propenyl)oxy]dimethyl-
CID 356107
1,2-Pentadiene, 4-(tert-butyldimethylsilyl)oxy-
CID 588004
tert-butyl-dimethyl-[(3R)-2-methylpent-1-en-3-yl]oxysilane
CID 12568505
Tert-butyl-(2,4-dimethylpenta-1,4-dien-3-yloxy)-dimethylsilane
CID 11172192
trimethyl-[(3R)-2-methylpent-1-en-3-yl]oxysilane
CID 11579203
Tert-butyl-dimethyl-(2-methylidenebutoxy)silane
CID 14974336
tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane
CID 134886912
[(2S)-but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 134890702
Dimethyl-(2-methylpenta-1,4-dien-3-yloxy)-prop-2-enylsilane
CID 135083609
Lithium tert-butyl-dimethyl-(2-methylidenebutoxy)silane
CID 155934020
tert-Butyl(dimethyl)[(2-methylpent-1-en-3-yl)oxy]silane
CID 12568507

Frequently Asked Questions

What is the IUPAC name of lithium 3-(trimethylsilylmethyl)but-3-en-2-olate?
The IUPAC name of lithium 3-(trimethylsilylmethyl)but-3-en-2-olate (CID 135084968) is lithium 3-(trimethylsilylmethyl)but-3-en-2-olate.
What is the SMILES notation for lithium 3-(trimethylsilylmethyl)but-3-en-2-olate?
The canonical SMILES for lithium 3-(trimethylsilylmethyl)but-3-en-2-olate is C=C(C[Si](C)(C)C)C(C)[O-].[Li+].
What is the InChIKey of lithium 3-(trimethylsilylmethyl)but-3-en-2-olate?
The InChIKey is PLJRRNXYOSVTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OSi.Li/c1-7(8(2)9)6-10(3,4)5;/h8H,1,6H2,2-5H3;/q-1;+1.
What are the key properties of lithium 3-(trimethylsilylmethyl)but-3-en-2-olate?
lithium 3-(trimethylsilylmethyl)but-3-en-2-olate has a molecular weight of 164.25 g/mol, XLogP of -1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(trimethylsilylmethyl)but-3-en-2-olate is sourced from PubChem (CID 135084968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).