2-trimethoxysilylpropanoic acid

C6H14O5Si — CID 19100244

IUPAC2-trimethoxysilylpropanoic acid
SMILESCO[Si](OC)(OC)C(C)C(=O)O
InChIInChI=1S/C6H14O5Si/c1-5(6(7)8)12(9-2,10-3)11-4/h5H,1-4H3,(H,7,8)
InChIKeyOKFSRIDZHGKYED-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.34
Rot. Bonds5

About 2-trimethoxysilylpropanoic acid

2-trimethoxysilylpropanoic acid (PubChem CID 19100244) has the molecular formula C6H14O5Si and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-trimethoxysilylpropanoic acid.

Molecular Properties

Compound Name2-trimethoxysilylpropanoic acid
PubChem CID19100244
Molecular FormulaC6H14O5Si
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-trimethoxysilylpropanoic acid
SMILESCO[Si](OC)(OC)C(C)C(=O)O
InChIInChI=1S/C6H14O5Si/c1-5(6(7)8)12(9-2,10-3)11-4/h5H,1-4H3,(H,7,8)
InChIKeyOKFSRIDZHGKYED-UHFFFAOYSA-N
XLogP0.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid
CID 57291447
2-bromopropanoic acid;methoxymethane
CID 159963674
2-methylpropanoic acid
CID 173073412
methyl 2-amino-2-trimethoxysilylacetate
CID 175332460
2-(1-trimethoxysilylpropyl)butanedioic acid
CID 140710851
2-methoxypropanoic acid;zirconium
CID 174567743
2-methoxypropanoic acid;titanium
CID 175177225
1,1-dichloropropan-2-yl(trimethoxy)silane
CID 57128304
(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
CID 158096678
alumane;2-chloropropanoic acid
CID 173230355

Frequently Asked Questions

What is the IUPAC name of 2-trimethoxysilylpropanoic acid?
The IUPAC name of 2-trimethoxysilylpropanoic acid (CID 19100244) is 2-trimethoxysilylpropanoic acid.
What is the SMILES notation for 2-trimethoxysilylpropanoic acid?
The canonical SMILES for 2-trimethoxysilylpropanoic acid is CO[Si](OC)(OC)C(C)C(=O)O.
What is the InChIKey of 2-trimethoxysilylpropanoic acid?
The InChIKey is OKFSRIDZHGKYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5Si/c1-5(6(7)8)12(9-2,10-3)11-4/h5H,1-4H3,(H,7,8).
What are the key properties of 2-trimethoxysilylpropanoic acid?
2-trimethoxysilylpropanoic acid has a molecular weight of 194.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylpropanoic acid is sourced from PubChem (CID 19100244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).