(E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one

C16H24OSi — CID 102522255

IUPAC(E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one
SMILESCC(C)(C)C(=O)/C=C(\c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H24OSi/c1-16(2,3)15(17)12-14(18(4,5)6)13-10-8-7-9-11-13/h7-12H,1-6H3/b14-12+
InChIKeyWNDCKWFIJOABRG-WYMLVPIESA-N
MW260.45 g/mol
LogP4.56
Rot. Bonds3

About (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one

(E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one (PubChem CID 102522255) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one
PubChem CID102522255
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name(E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one
SMILESCC(C)(C)C(=O)/C=C(\c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H24OSi/c1-16(2,3)15(17)12-14(18(4,5)6)13-10-8-7-9-11-13/h7-12H,1-6H3/b14-12+
InChIKeyWNDCKWFIJOABRG-WYMLVPIESA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.56
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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Related Compounds

1-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-one
CID 72743571
1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)
CID 175858703
butane-2,3-diol;bis((E)-1-hydroxy-4,4-dimethyl-1-phenylpent-1-en-3-one);titanium
CID 140597245
bis((Z)-1-hydroxy-4,4-dimethyl-1-phenylpent-1-en-3-one);bis(4-methylphenol);titanium
CID 140597254
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum
CID 177296338
N-[(Z)-1-ethoxy-4,4-dimethyl-3-oxopent-1-enyl]benzamide
CID 11492804
2,2-dimethylpropane;diphenylmethanone
CID 159191976
5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one
CID 2832876
benzoic acid;methanol
CID 67901482
(E)-1-amino-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-one
CID 818325
(E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione
CID 15339829

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one?
The IUPAC name of (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one (CID 102522255) is (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one.
What is the SMILES notation for (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one?
The canonical SMILES for (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one is CC(C)(C)C(=O)/C=C(\c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one?
The InChIKey is WNDCKWFIJOABRG-WYMLVPIESA-N. The full InChI is InChI=1S/C16H24OSi/c1-16(2,3)15(17)12-14(18(4,5)6)13-10-8-7-9-11-13/h7-12H,1-6H3/b14-12+.
What are the key properties of (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one?
(E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one has a molecular weight of 260.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one is sourced from PubChem (CID 102522255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).