2-(2-trimethoxysilylethyl)butanedioic acid

C9H18O7Si — CID 142550319

IUPAC2-(2-trimethoxysilylethyl)butanedioic acid
SMILESCO[Si](CCC(CC(=O)O)C(=O)O)(OC)OC
InChIInChI=1S/C9H18O7Si/c1-14-17(15-2,16-3)5-4-7(9(12)13)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeySIVJSVHWVAVMGO-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.43
Rot. Bonds9

About 2-(2-trimethoxysilylethyl)butanedioic acid

2-(2-trimethoxysilylethyl)butanedioic acid (PubChem CID 142550319) has the molecular formula C9H18O7Si and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(2-trimethoxysilylethyl)butanedioic acid.

Molecular Properties

Compound Name2-(2-trimethoxysilylethyl)butanedioic acid
PubChem CID142550319
Molecular FormulaC9H18O7Si
Molecular Weight266.32 g/mol
Exact Mass266.08
IUPAC Name2-(2-trimethoxysilylethyl)butanedioic acid
SMILESCO[Si](CCC(CC(=O)O)C(=O)O)(OC)OC
InChIInChI=1S/C9H18O7Si/c1-14-17(15-2,16-3)5-4-7(9(12)13)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeySIVJSVHWVAVMGO-UHFFFAOYSA-N
XLogP0.43
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethoxysilylethyl)butanedioic acid?
The IUPAC name of 2-(2-trimethoxysilylethyl)butanedioic acid (CID 142550319) is 2-(2-trimethoxysilylethyl)butanedioic acid.
What is the SMILES notation for 2-(2-trimethoxysilylethyl)butanedioic acid?
The canonical SMILES for 2-(2-trimethoxysilylethyl)butanedioic acid is CO[Si](CCC(CC(=O)O)C(=O)O)(OC)OC.
What is the InChIKey of 2-(2-trimethoxysilylethyl)butanedioic acid?
The InChIKey is SIVJSVHWVAVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O7Si/c1-14-17(15-2,16-3)5-4-7(9(12)13)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-(2-trimethoxysilylethyl)butanedioic acid?
2-(2-trimethoxysilylethyl)butanedioic acid has a molecular weight of 266.32 g/mol, XLogP of 0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethoxysilylethyl)butanedioic acid is sourced from PubChem (CID 142550319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).