(E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one

C13H26OSi — CID 14361919

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one
SMILESCC(C)(C)/C=C/C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-12(2,3)10-9-11(14)15(7,8)13(4,5)6/h9-10H,1-8H3/b10-9+
InChIKeyZRPCVHZKTYJFKT-MDZDMXLPSA-N
MW226.44 g/mol
LogP4.21
Rot. Bonds2

About (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one

(E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one (PubChem CID 14361919) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one
PubChem CID14361919
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one
SMILESCC(C)(C)/C=C/C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-12(2,3)10-9-11(14)15(7,8)13(4,5)6/h9-10H,1-8H3/b10-9+
InChIKeyZRPCVHZKTYJFKT-MDZDMXLPSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one (CID 14361919) is (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one is CC(C)(C)/C=C/C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one?
The InChIKey is ZRPCVHZKTYJFKT-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H26OSi/c1-12(2,3)10-9-11(14)15(7,8)13(4,5)6/h9-10H,1-8H3/b10-9+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one?
(E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one has a molecular weight of 226.44 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-one is sourced from PubChem (CID 14361919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).