2-(1-triethoxysilylpropyl)propanedioic acid

C12H24O7Si — CID 19077993

IUPAC2-(1-triethoxysilylpropyl)propanedioic acid
SMILESCCO[Si](OCC)(OCC)C(CC)C(C(=O)O)C(=O)O
InChIInChI=1S/C12H24O7Si/c1-5-9(10(11(13)14)12(15)16)20(17-6-2,18-7-3)19-8-4/h9-10H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyHZNDJKURLYJLAR-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.60
Rot. Bonds11

About 2-(1-triethoxysilylpropyl)propanedioic acid

2-(1-triethoxysilylpropyl)propanedioic acid (PubChem CID 19077993) has the molecular formula C12H24O7Si and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(1-triethoxysilylpropyl)propanedioic acid.

Molecular Properties

Compound Name2-(1-triethoxysilylpropyl)propanedioic acid
PubChem CID19077993
Molecular FormulaC12H24O7Si
Molecular Weight308.40 g/mol
Exact Mass308.13
IUPAC Name2-(1-triethoxysilylpropyl)propanedioic acid
SMILESCCO[Si](OCC)(OCC)C(CC)C(C(=O)O)C(=O)O
InChIInChI=1S/C12H24O7Si/c1-5-9(10(11(13)14)12(15)16)20(17-6-2,18-7-3)19-8-4/h9-10H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyHZNDJKURLYJLAR-UHFFFAOYSA-N
XLogP1.60
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-triethoxysilylpropyl)propanedioic acid?
The IUPAC name of 2-(1-triethoxysilylpropyl)propanedioic acid (CID 19077993) is 2-(1-triethoxysilylpropyl)propanedioic acid.
What is the SMILES notation for 2-(1-triethoxysilylpropyl)propanedioic acid?
The canonical SMILES for 2-(1-triethoxysilylpropyl)propanedioic acid is CCO[Si](OCC)(OCC)C(CC)C(C(=O)O)C(=O)O.
What is the InChIKey of 2-(1-triethoxysilylpropyl)propanedioic acid?
The InChIKey is HZNDJKURLYJLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O7Si/c1-5-9(10(11(13)14)12(15)16)20(17-6-2,18-7-3)19-8-4/h9-10H,5-8H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-(1-triethoxysilylpropyl)propanedioic acid?
2-(1-triethoxysilylpropyl)propanedioic acid has a molecular weight of 308.40 g/mol, XLogP of 1.60, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-triethoxysilylpropyl)propanedioic acid is sourced from PubChem (CID 19077993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).