3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one

C16H24O3Si — CID 162175836

IUPAC3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one
SMILESCC(=O)C(CCC[Si](C)(C)C)=C(O)c1ccc(O)cc1
InChIInChI=1S/C16H24O3Si/c1-12(17)15(6-5-11-20(2,3)4)16(19)13-7-9-14(18)10-8-13/h7-10,18-19H,5-6,11H2,1-4H3
InChIKeyPFKXRJYQBFGKRH-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.37
Rot. Bonds6

About 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one

3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one (PubChem CID 162175836) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one.

Molecular Properties

Compound Name3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one
PubChem CID162175836
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one
SMILESCC(=O)C(CCC[Si](C)(C)C)=C(O)c1ccc(O)cc1
InChIInChI=1S/C16H24O3Si/c1-12(17)15(6-5-11-20(2,3)4)16(19)13-7-9-14(18)10-8-13/h7-10,18-19H,5-6,11H2,1-4H3
InChIKeyPFKXRJYQBFGKRH-UHFFFAOYSA-N
XLogP4.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one?
The IUPAC name of 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one (CID 162175836) is 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one.
What is the SMILES notation for 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one?
The canonical SMILES for 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one is CC(=O)C(CCC[Si](C)(C)C)=C(O)c1ccc(O)cc1.
What is the InChIKey of 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one?
The InChIKey is PFKXRJYQBFGKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-12(17)15(6-5-11-20(2,3)4)16(19)13-7-9-14(18)10-8-13/h7-10,18-19H,5-6,11H2,1-4H3.
What are the key properties of 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one?
3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one has a molecular weight of 292.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one is sourced from PubChem (CID 162175836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).