2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid

C10H20O6Si — CID 150571970

IUPAC2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid
SMILESCO[SiH](CCCC(C)(CC(=O)O)C(=O)O)OC
InChIInChI=1S/C10H20O6Si/c1-10(9(13)14,7-8(11)12)5-4-6-17(15-2)16-3/h17H,4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIMANIOYJDJVPPU-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.85
Rot. Bonds9

About 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid

2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid (PubChem CID 150571970) has the molecular formula C10H20O6Si and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid.

Molecular Properties

Compound Name2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid
PubChem CID150571970
Molecular FormulaC10H20O6Si
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid
SMILESCO[SiH](CCCC(C)(CC(=O)O)C(=O)O)OC
InChIInChI=1S/C10H20O6Si/c1-10(9(13)14,7-8(11)12)5-4-6-17(15-2)16-3/h17H,4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIMANIOYJDJVPPU-UHFFFAOYSA-N
XLogP0.85
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid?
The IUPAC name of 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid (CID 150571970) is 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid.
What is the SMILES notation for 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid?
The canonical SMILES for 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid is CO[SiH](CCCC(C)(CC(=O)O)C(=O)O)OC.
What is the InChIKey of 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid?
The InChIKey is IMANIOYJDJVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6Si/c1-10(9(13)14,7-8(11)12)5-4-6-17(15-2)16-3/h17H,4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid?
2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid has a molecular weight of 264.35 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dimethoxysilylpropyl)-2-methylbutanedioic acid is sourced from PubChem (CID 150571970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).