methyl 2-trimethoxysilylbutanoate

C8H18O5Si — CID 141147304

IUPACmethyl 2-trimethoxysilylbutanoate
SMILESCCC(C(=O)OC)[Si](OC)(OC)OC
InChIInChI=1S/C8H18O5Si/c1-6-7(8(9)10-2)14(11-3,12-4)13-5/h7H,6H2,1-5H3
InChIKeyACERGANKZHFKKG-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.82
Rot. Bonds6

About methyl 2-trimethoxysilylbutanoate

methyl 2-trimethoxysilylbutanoate (PubChem CID 141147304) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is methyl 2-trimethoxysilylbutanoate.

Molecular Properties

Compound Namemethyl 2-trimethoxysilylbutanoate
PubChem CID141147304
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-trimethoxysilylbutanoate
SMILESCCC(C(=O)OC)[Si](OC)(OC)OC
InChIInChI=1S/C8H18O5Si/c1-6-7(8(9)10-2)14(11-3,12-4)13-5/h7H,6H2,1-5H3
InChIKeyACERGANKZHFKKG-UHFFFAOYSA-N
XLogP0.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-2-trimethoxysilylacetate
CID 175332460
ethyl 2-trimethoxysilylhexanoate
CID 141147358
methyl 2-(cyanomethyl)butanoate
CID 15312095
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-silylbutanoate
CID 174805276
methyl 5-ethyl-2-hydroxy-4-oxoheptanoate
CID 19688722
methyl 2-methyl-3-trimethylstannylbutanoate
CID 13445997
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2S)-2-(2-ethylbutylamino)propanoate
CID 43723607
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053

Frequently Asked Questions

What is the IUPAC name of methyl 2-trimethoxysilylbutanoate?
The IUPAC name of methyl 2-trimethoxysilylbutanoate (CID 141147304) is methyl 2-trimethoxysilylbutanoate.
What is the SMILES notation for methyl 2-trimethoxysilylbutanoate?
The canonical SMILES for methyl 2-trimethoxysilylbutanoate is CCC(C(=O)OC)[Si](OC)(OC)OC.
What is the InChIKey of methyl 2-trimethoxysilylbutanoate?
The InChIKey is ACERGANKZHFKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-6-7(8(9)10-2)14(11-3,12-4)13-5/h7H,6H2,1-5H3.
What are the key properties of methyl 2-trimethoxysilylbutanoate?
methyl 2-trimethoxysilylbutanoate has a molecular weight of 222.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethoxysilylbutanoate is sourced from PubChem (CID 141147304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).