2-trimethoxysilylethyl 2-methylpropanoate

C9H20O5Si — CID 59172701

IUPAC2-trimethoxysilylethyl 2-methylpropanoate
SMILESCO[Si](CCOC(=O)C(C)C)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-8(2)9(10)14-6-7-15(11-3,12-4)13-5/h8H,6-7H2,1-5H3
InChIKeyIILNBFAOWKHKPC-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.06
Rot. Bonds7

About 2-trimethoxysilylethyl 2-methylpropanoate

2-trimethoxysilylethyl 2-methylpropanoate (PubChem CID 59172701) has the molecular formula C9H20O5Si and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-trimethoxysilylethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-trimethoxysilylethyl 2-methylpropanoate
PubChem CID59172701
Molecular FormulaC9H20O5Si
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-trimethoxysilylethyl 2-methylpropanoate
SMILESCO[Si](CCOC(=O)C(C)C)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-8(2)9(10)14-6-7-15(11-3,12-4)13-5/h8H,6-7H2,1-5H3
InChIKeyIILNBFAOWKHKPC-UHFFFAOYSA-N
XLogP1.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.06
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

CID 154612724
CID 154612724
2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 90763900
6-trihydroxysilylhexyl 2-methylpropanoate
CID 102303066
6-methoxyhexyl 2-methylpropanoate
CID 135199835
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
3-aminopropyl 2-methylpropanoate
CID 59078098
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
CID 134214872
8-aminooctyl 2-methylpropanoate
CID 88886116
2-(2-trimethoxysilylethoxy)propan-1-amine
CID 59561245

Frequently Asked Questions

What is the IUPAC name of 2-trimethoxysilylethyl 2-methylpropanoate?
The IUPAC name of 2-trimethoxysilylethyl 2-methylpropanoate (CID 59172701) is 2-trimethoxysilylethyl 2-methylpropanoate.
What is the SMILES notation for 2-trimethoxysilylethyl 2-methylpropanoate?
The canonical SMILES for 2-trimethoxysilylethyl 2-methylpropanoate is CO[Si](CCOC(=O)C(C)C)(OC)OC.
What is the InChIKey of 2-trimethoxysilylethyl 2-methylpropanoate?
The InChIKey is IILNBFAOWKHKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si/c1-8(2)9(10)14-6-7-15(11-3,12-4)13-5/h8H,6-7H2,1-5H3.
What are the key properties of 2-trimethoxysilylethyl 2-methylpropanoate?
2-trimethoxysilylethyl 2-methylpropanoate has a molecular weight of 236.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylethyl 2-methylpropanoate is sourced from PubChem (CID 59172701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).