methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate

C16H26O3Si — CID 11098418

IUPACmethyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate
SMILESCOC(=O)C(C)(C)C(C)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O3Si/c1-15(2,14(17)18-4)16(3,19-20(5,6)7)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyZHEMMIDQNZULAV-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.95
Rot. Bonds5

About methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate

methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate (PubChem CID 11098418) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate
PubChem CID11098418
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Namemethyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate
SMILESCOC(=O)C(C)(C)C(C)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O3Si/c1-15(2,14(17)18-4)16(3,19-20(5,6)7)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyZHEMMIDQNZULAV-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.95
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

(2,3-diphenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10068766
dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 11826857
methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
CID 45379026
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one
CID 56998630
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
(2S)-2-phenyl-2-trimethylsilyl-2-trimethylsilyloxyacetic acid
CID 54395913
methyl 2-methyl-2-phenylbutanoate
CID 562613
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
CID 91481469
CID 91481469
methyl 2-hydroxy-4,4-dimethyl-3-oxo-2-phenylpentanoate
CID 24976781

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate?
The IUPAC name of methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate (CID 11098418) is methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate is COC(=O)C(C)(C)C(C)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate?
The InChIKey is ZHEMMIDQNZULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-15(2,14(17)18-4)16(3,19-20(5,6)7)13-11-9-8-10-12-13/h8-12H,1-7H3.
What are the key properties of methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate?
methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate has a molecular weight of 294.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 11098418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).