(Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate

C10H21OSi- — CID 134894272

IUPAC(Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate
SMILESCC/C([O-])=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22OSi/c1-7-9(11)8-12(5,6)10(2,3)4/h8,11H,7H2,1-6H3/p-1/b9-8-
InChIKeyGGNCAZOELKCLOO-HJWRWDBZSA-M
MW185.36 g/mol
LogP2.69
Rot. Bonds2

About (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate

(Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate (PubChem CID 134894272) has the molecular formula C10H21OSi- and a molecular weight of 185.36 g/mol. Its IUPAC name is (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate.

Molecular Properties

Compound Name(Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate
PubChem CID134894272
Molecular FormulaC10H21OSi-
Molecular Weight185.36 g/mol
Exact Mass185.14
IUPAC Name(Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate
SMILESCC/C([O-])=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22OSi/c1-7-9(11)8-12(5,6)10(2,3)4/h8,11H,7H2,1-6H3/p-1/b9-8-
InChIKeyGGNCAZOELKCLOO-HJWRWDBZSA-M
XLogP2.69
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate?
The IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate (CID 134894272) is (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate.
What is the SMILES notation for (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate?
The canonical SMILES for (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate is CC/C([O-])=C/[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate?
The InChIKey is GGNCAZOELKCLOO-HJWRWDBZSA-M. The full InChI is InChI=1S/C10H22OSi/c1-7-9(11)8-12(5,6)10(2,3)4/h8,11H,7H2,1-6H3/p-1/b9-8-.
What are the key properties of (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate?
(Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate has a molecular weight of 185.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[tert-butyl(dimethyl)silyl]but-1-en-2-olate is sourced from PubChem (CID 134894272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).