methyl 3-methyl-3-trimethylsilyloxybutanoate

C9H20O3Si — CID 139928236

IUPACmethyl 3-methyl-3-trimethylsilyloxybutanoate
SMILESCOC(=O)CC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-9(2,7-8(10)11-3)12-13(4,5)6/h7H2,1-6H3
InChIKeyBKLWDGSQPYTFKN-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.18
Rot. Bonds4

About methyl 3-methyl-3-trimethylsilyloxybutanoate

methyl 3-methyl-3-trimethylsilyloxybutanoate (PubChem CID 139928236) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is methyl 3-methyl-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl 3-methyl-3-trimethylsilyloxybutanoate
PubChem CID139928236
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Namemethyl 3-methyl-3-trimethylsilyloxybutanoate
SMILESCOC(=O)CC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-9(2,7-8(10)11-3)12-13(4,5)6/h7H2,1-6H3
InChIKeyBKLWDGSQPYTFKN-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-methyl-3-trimethylsilyloxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Trimethylsilyloxyisovaleric acid,trimethylsilyl ester
CID 521571
Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
CID 554460
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
Trimethylsilyl 2-([(trimethylsilyl)oxy]methyl)butanoate
CID 528640
3-Hydroxyisovaleric acid, diTBDMS
CID 6430556
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-, methyl ester
CID 560751
ethyl (S)-3-t-butyldimethylsilyloxybutanoate
CID 11817463
ethyl (3S)-3-trimethylsilyloxybutanoate
CID 101671320
3-Hydroxyisovaleric acid, mono-TBDMS # 1
CID 91752589

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-trimethylsilyloxybutanoate?
The IUPAC name of methyl 3-methyl-3-trimethylsilyloxybutanoate (CID 139928236) is methyl 3-methyl-3-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl 3-methyl-3-trimethylsilyloxybutanoate?
The canonical SMILES for methyl 3-methyl-3-trimethylsilyloxybutanoate is COC(=O)CC(C)(C)O[Si](C)(C)C.
What is the InChIKey of methyl 3-methyl-3-trimethylsilyloxybutanoate?
The InChIKey is BKLWDGSQPYTFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-9(2,7-8(10)11-3)12-13(4,5)6/h7H2,1-6H3.
What are the key properties of methyl 3-methyl-3-trimethylsilyloxybutanoate?
methyl 3-methyl-3-trimethylsilyloxybutanoate has a molecular weight of 204.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 139928236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).