(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one

C18H28O2Si — CID 146163201

IUPAC(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one
SMILESC/C=C/CCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H28O2Si/c1-7-8-9-10-17(19)15-11-13-16(14-12-15)20-21(5,6)18(2,3)4/h7-8,11-14H,9-10H2,1-6H3/b8-7+
InChIKeyZXTJAQPQXKIZPA-BQYQJAHWSA-N
MW304.51 g/mol
LogP5.61
Rot. Bonds6

About (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one

(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one (PubChem CID 146163201) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one
PubChem CID146163201
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one
SMILESC/C=C/CCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H28O2Si/c1-7-8-9-10-17(19)15-11-13-16(14-12-15)20-21(5,6)18(2,3)4/h7-8,11-14H,9-10H2,1-6H3/b8-7+
InChIKeyZXTJAQPQXKIZPA-BQYQJAHWSA-N
XLogP5.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one?
The IUPAC name of (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one (CID 146163201) is (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one.
What is the SMILES notation for (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one?
The canonical SMILES for (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one is C/C=C/CCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one?
The InChIKey is ZXTJAQPQXKIZPA-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-7-8-9-10-17(19)15-11-13-16(14-12-15)20-21(5,6)18(2,3)4/h7-8,11-14H,9-10H2,1-6H3/b8-7+.
What are the key properties of (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one?
(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one has a molecular weight of 304.51 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one is sourced from PubChem (CID 146163201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).