methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate

C22H22O3Si — CID 10498884

IUPACmethyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate
SMILESCOC(=O)CC(c1ccccc1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3Si/c1-25-22(23)17-21(18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,17H2,1H3
InChIKeyVJAIILYVLBDCLM-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.62
Rot. Bonds6

About methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate

methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate (PubChem CID 10498884) has the molecular formula C22H22O3Si and a molecular weight of 362.50 g/mol. Its IUPAC name is methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate
PubChem CID10498884
Molecular FormulaC22H22O3Si
Molecular Weight362.50 g/mol
Exact Mass362.13
IUPAC Namemethyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate
SMILESCOC(=O)CC(c1ccccc1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3Si/c1-25-22(23)17-21(18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,17H2,1H3
InChIKeyVJAIILYVLBDCLM-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl 3-(4-iodophenyl)-3-phenylpropanoate
CID 23729956
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
dimethyl 2-(1-phenylethyl)butanedioate
CID 53348868
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
methyl 5-hydroxy-3-oxo-5-phenylpentanoate
CID 11020460
methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
CID 175534287
methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate
CID 101341540
methyl 4-(methylamino)-4-oxo-3-phenylbutanoate
CID 10013769
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170

Frequently Asked Questions

What is the IUPAC name of methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate?
The IUPAC name of methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate (CID 10498884) is methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate is COC(=O)CC(c1ccccc1)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate?
The InChIKey is VJAIILYVLBDCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3Si/c1-25-22(23)17-21(18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,17H2,1H3.
What are the key properties of methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate?
methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate has a molecular weight of 362.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate is sourced from PubChem (CID 10498884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).