methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate

C21H28O3Si — CID 173314369

IUPACmethyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)(C)C)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-20(2,3)16-21(4,19(22)23-5)24-25(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,25H,16H2,1-5H3
InChIKeyBNAUEZGSRYSRTI-UHFFFAOYSA-N
MW356.54 g/mol
LogP2.91
Rot. Bonds6

About methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate

methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate (PubChem CID 173314369) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate
PubChem CID173314369
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Namemethyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)(C)C)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-20(2,3)16-21(4,19(22)23-5)24-25(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,25H,16H2,1-5H3
InChIKeyBNAUEZGSRYSRTI-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 52.91
H-Bond Donors ≤ 50
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 methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate?
The IUPAC name of methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate (CID 173314369) is methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate.
What is the SMILES notation for methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate?
The canonical SMILES for methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate is COC(=O)C(C)(CC(C)(C)C)O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate?
The InChIKey is BNAUEZGSRYSRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-20(2,3)16-21(4,19(22)23-5)24-25(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,25H,16H2,1-5H3.
What are the key properties of methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate?
methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate has a molecular weight of 356.54 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diphenylsilyloxy-2,4,4-trimethylpentanoate is sourced from PubChem (CID 173314369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).