tert-butyl 2-[hydroxy(dimethyl)silyl]acetate

C8H18O3Si — CID 173499915

IUPACtert-butyl 2-[hydroxy(dimethyl)silyl]acetate
SMILESCC(C)(C)OC(=O)C[Si](C)(C)O
InChIInChI=1S/C8H18O3Si/c1-8(2,3)11-7(9)6-12(4,5)10/h10H,6H2,1-5H3
InChIKeyJMMPINPRDRRUKG-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.53
Rot. Bonds2

About tert-butyl 2-[hydroxy(dimethyl)silyl]acetate

tert-butyl 2-[hydroxy(dimethyl)silyl]acetate (PubChem CID 173499915) has the molecular formula C8H18O3Si and a molecular weight of 190.31 g/mol. Its IUPAC name is tert-butyl 2-[hydroxy(dimethyl)silyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[hydroxy(dimethyl)silyl]acetate
PubChem CID173499915
Molecular FormulaC8H18O3Si
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Nametert-butyl 2-[hydroxy(dimethyl)silyl]acetate
SMILESCC(C)(C)OC(=O)C[Si](C)(C)O
InChIInChI=1S/C8H18O3Si/c1-8(2,3)11-7(9)6-12(4,5)10/h10H,6H2,1-5H3
InChIKeyJMMPINPRDRRUKG-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[hydroxy(dimethyl)silyl]acetate 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

ditert-butyl pentanedioate
CID 3016405
tert-butyl propanoate;hydrobromide
CID 172778720
tert-butyl 3,3-dimethylbutanoate;methane
CID 161060184
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
tert-butyl 2-dimethoxyphosphorylacetate
CID 4564495
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
butane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid
CID 87066053
tert-butyl 3,3-dimethylhex-4-ynoate
CID 167634573
tert-butyl 3,3-diaminopropanoate
CID 57031897
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[hydroxy(dimethyl)silyl]acetate?
The IUPAC name of tert-butyl 2-[hydroxy(dimethyl)silyl]acetate (CID 173499915) is tert-butyl 2-[hydroxy(dimethyl)silyl]acetate.
What is the SMILES notation for tert-butyl 2-[hydroxy(dimethyl)silyl]acetate?
The canonical SMILES for tert-butyl 2-[hydroxy(dimethyl)silyl]acetate is CC(C)(C)OC(=O)C[Si](C)(C)O.
What is the InChIKey of tert-butyl 2-[hydroxy(dimethyl)silyl]acetate?
The InChIKey is JMMPINPRDRRUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si/c1-8(2,3)11-7(9)6-12(4,5)10/h10H,6H2,1-5H3.
What are the key properties of tert-butyl 2-[hydroxy(dimethyl)silyl]acetate?
tert-butyl 2-[hydroxy(dimethyl)silyl]acetate has a molecular weight of 190.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[hydroxy(dimethyl)silyl]acetate is sourced from PubChem (CID 173499915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).