5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one

C21H36O3Si — CID 70879728

IUPAC5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one
SMILESCCCCCCCC(O)CC(=O)CCc1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C21H36O3Si/c1-5-6-7-8-9-10-19(22)17-20(23)14-11-18-12-15-21(16-13-18)24-25(2,3)4/h12-13,15-16,19,22H,5-11,14,17H2,1-4H3
InChIKeyARFQOWVDYOZMPR-UHFFFAOYSA-N
MW364.60 g/mol
LogP5.51
Rot. Bonds13

About 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one

5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one (PubChem CID 70879728) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one.

Molecular Properties

Compound Name5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one
PubChem CID70879728
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one
SMILESCCCCCCCC(O)CC(=O)CCc1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C21H36O3Si/c1-5-6-7-8-9-10-19(22)17-20(23)14-11-18-12-15-21(16-13-18)24-25(2,3)4/h12-13,15-16,19,22H,5-11,14,17H2,1-4H3
InChIKeyARFQOWVDYOZMPR-UHFFFAOYSA-N
XLogP5.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one?
The IUPAC name of 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one (CID 70879728) is 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one.
What is the SMILES notation for 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one?
The canonical SMILES for 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one is CCCCCCCC(O)CC(=O)CCc1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one?
The InChIKey is ARFQOWVDYOZMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-5-6-7-8-9-10-19(22)17-20(23)14-11-18-12-15-21(16-13-18)24-25(2,3)4/h12-13,15-16,19,22H,5-11,14,17H2,1-4H3.
What are the key properties of 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one?
5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one has a molecular weight of 364.60 g/mol, XLogP of 5.51, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(4-trimethylsilyloxyphenyl)dodecan-3-one is sourced from PubChem (CID 70879728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).