5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one

C20H26O3Si — CID 538388

IUPAC5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one
SMILESCC(O)CC(=O)C(C)CO[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-16(20(22)14-17(2)21)15-23-24(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21H,14-15H2,1-3H3
InChIKeyBJSNWHCQKXMZGQ-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.37
Rot. Bonds8

About 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one

5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one (PubChem CID 538388) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one
PubChem CID538388
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Name5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one
SMILESCC(O)CC(=O)C(C)CO[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-16(20(22)14-17(2)21)15-23-24(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21H,14-15H2,1-3H3
InChIKeyBJSNWHCQKXMZGQ-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one?
The IUPAC name of 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one (CID 538388) is 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one.
What is the SMILES notation for 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one?
The canonical SMILES for 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one is CC(O)CC(=O)C(C)CO[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one?
The InChIKey is BJSNWHCQKXMZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-16(20(22)14-17(2)21)15-23-24(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21H,14-15H2,1-3H3.
What are the key properties of 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one?
5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one has a molecular weight of 342.51 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one is sourced from PubChem (CID 538388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).