methyl 3-methyl-2-phenyl-2-silylbutanoate

C12H18O2Si — CID 174683838

IUPACmethyl 3-methyl-2-phenyl-2-silylbutanoate
SMILESCOC(=O)C([SiH3])(c1ccccc1)C(C)C
InChIInChI=1S/C12H18O2Si/c1-9(2)12(15,11(13)14-3)10-7-5-4-6-8-10/h4-9H,1-3,15H3
InChIKeyUDDATPAJQNMTSF-UHFFFAOYSA-N
MW222.36 g/mol
LogP1.08
Rot. Bonds3

About methyl 3-methyl-2-phenyl-2-silylbutanoate

methyl 3-methyl-2-phenyl-2-silylbutanoate (PubChem CID 174683838) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is methyl 3-methyl-2-phenyl-2-silylbutanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-phenyl-2-silylbutanoate
PubChem CID174683838
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Namemethyl 3-methyl-2-phenyl-2-silylbutanoate
SMILESCOC(=O)C([SiH3])(c1ccccc1)C(C)C
InChIInChI=1S/C12H18O2Si/c1-9(2)12(15,11(13)14-3)10-7-5-4-6-8-10/h4-9H,1-3,15H3
InChIKeyUDDATPAJQNMTSF-UHFFFAOYSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl 2-cyano-3-methyl-2-phenylbutanoate
CID 141339587
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
methyl (2S,3S)-3-chloro-2-hydroxy-4-methyl-2-phenylpentanoate
CID 101164311
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 2-methylsulfinyl-2,2-diphenylacetate
CID 68803988

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-phenyl-2-silylbutanoate?
The IUPAC name of methyl 3-methyl-2-phenyl-2-silylbutanoate (CID 174683838) is methyl 3-methyl-2-phenyl-2-silylbutanoate.
What is the SMILES notation for methyl 3-methyl-2-phenyl-2-silylbutanoate?
The canonical SMILES for methyl 3-methyl-2-phenyl-2-silylbutanoate is COC(=O)C([SiH3])(c1ccccc1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-phenyl-2-silylbutanoate?
The InChIKey is UDDATPAJQNMTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-9(2)12(15,11(13)14-3)10-7-5-4-6-8-10/h4-9H,1-3,15H3.
What are the key properties of methyl 3-methyl-2-phenyl-2-silylbutanoate?
methyl 3-methyl-2-phenyl-2-silylbutanoate has a molecular weight of 222.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-phenyl-2-silylbutanoate is sourced from PubChem (CID 174683838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).