methyl 4,4-diphenyl-4-silyloxybutanoate

C17H20O3Si — CID 175160957

IUPACmethyl 4,4-diphenyl-4-silyloxybutanoate
SMILESCOC(=O)CCC(O[SiH3])(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O3Si/c1-19-16(18)12-13-17(20-21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13H2,1,21H3
InChIKeyIUHNCSCCLJVQHG-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.18
Rot. Bonds6

About methyl 4,4-diphenyl-4-silyloxybutanoate

methyl 4,4-diphenyl-4-silyloxybutanoate (PubChem CID 175160957) has the molecular formula C17H20O3Si and a molecular weight of 300.43 g/mol. Its IUPAC name is methyl 4,4-diphenyl-4-silyloxybutanoate.

Molecular Properties

Compound Namemethyl 4,4-diphenyl-4-silyloxybutanoate
PubChem CID175160957
Molecular FormulaC17H20O3Si
Molecular Weight300.43 g/mol
Exact Mass300.12
IUPAC Namemethyl 4,4-diphenyl-4-silyloxybutanoate
SMILESCOC(=O)CCC(O[SiH3])(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O3Si/c1-19-16(18)12-13-17(20-21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13H2,1,21H3
InChIKeyIUHNCSCCLJVQHG-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70602974
methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
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methyl 4-benzyl-4,6,6-trimethylheptanoate
CID 134916317
methyl 5-trityloxypentanoate
CID 171841896
methyl 2-(tritylamino)acetate
CID 637611
7-methoxy-4-methyl-7-oxo-4-phenylsulfanylheptanoic acid
CID 90393238
4-methyl-4-phenylpentaneperoxoic acid
CID 54384319
acetic acid;chlorobenzene;dimethyl butanedioate
CID 174884752
1-O-ethyl 7-O-methyl 4-benzyl-4-methylheptanedioate
CID 134916484
methyl 4-methyl-4-pyridin-2-ylpentanoate
CID 5323750
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
methyl 4-[methoxy(phenyl)phosphanyl]butanoate
CID 144620027

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-diphenyl-4-silyloxybutanoate?
The IUPAC name of methyl 4,4-diphenyl-4-silyloxybutanoate (CID 175160957) is methyl 4,4-diphenyl-4-silyloxybutanoate.
What is the SMILES notation for methyl 4,4-diphenyl-4-silyloxybutanoate?
The canonical SMILES for methyl 4,4-diphenyl-4-silyloxybutanoate is COC(=O)CCC(O[SiH3])(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 4,4-diphenyl-4-silyloxybutanoate?
The InChIKey is IUHNCSCCLJVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3Si/c1-19-16(18)12-13-17(20-21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13H2,1,21H3.
What are the key properties of methyl 4,4-diphenyl-4-silyloxybutanoate?
methyl 4,4-diphenyl-4-silyloxybutanoate has a molecular weight of 300.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-diphenyl-4-silyloxybutanoate is sourced from PubChem (CID 175160957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).