triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide

C12H28AlSi- — CID 134889527

IUPACtriethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide
SMILESCC[Al-](CC)(CC)C/C=C/[Si](C)(C)C
InChIInChI=1S/C6H13Si.3C2H5.Al/c1-5-6-7(2,3)4;3*1-2;/h5-6H,1H2,2-4H3;3*1H2,2H3;/q;;;;-1/b6-5+;;;;
InChIKeyWFMPQMBOIDLSBX-WPYDVODASA-N
MW227.42 g/mol
LogP4.93
Rot. Bonds6

About triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide

triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide (PubChem CID 134889527) has the molecular formula C12H28AlSi- and a molecular weight of 227.42 g/mol. Its IUPAC name is triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide.

Molecular Properties

Compound Nametriethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide
PubChem CID134889527
Molecular FormulaC12H28AlSi-
Molecular Weight227.42 g/mol
Exact Mass227.18
IUPAC Nametriethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide
SMILESCC[Al-](CC)(CC)C/C=C/[Si](C)(C)C
InChIInChI=1S/C6H13Si.3C2H5.Al/c1-5-6-7(2,3)4;3*1-2;/h5-6H,1H2,2-4H3;3*1H2,2H3;/q;;;;-1/b6-5+;;;;
InChIKeyWFMPQMBOIDLSBX-WPYDVODASA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide?
The IUPAC name of triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide (CID 134889527) is triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide.
What is the SMILES notation for triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide?
The canonical SMILES for triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide is CC[Al-](CC)(CC)C/C=C/[Si](C)(C)C.
What is the InChIKey of triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide?
The InChIKey is WFMPQMBOIDLSBX-WPYDVODASA-N. The full InChI is InChI=1S/C6H13Si.3C2H5.Al/c1-5-6-7(2,3)4;3*1-2;/h5-6H,1H2,2-4H3;3*1H2,2H3;/q;;;;-1/b6-5+;;;;.
What are the key properties of triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide?
triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide has a molecular weight of 227.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-3-trimethylsilylprop-2-enyl]alumanuide is sourced from PubChem (CID 134889527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).