2-(3-trimethoxysilylpropyl)butanedioic acid

C10H20O7Si — CID 19981225

IUPAC2-(3-trimethoxysilylpropyl)butanedioic acid
SMILESCO[Si](CCCC(CC(=O)O)C(=O)O)(OC)OC
InChIInChI=1S/C10H20O7Si/c1-15-18(16-2,17-3)6-4-5-8(10(13)14)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyAHNLTPNNRFETEC-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.82
Rot. Bonds10

About 2-(3-trimethoxysilylpropyl)butanedioic acid

2-(3-trimethoxysilylpropyl)butanedioic acid (PubChem CID 19981225) has the molecular formula C10H20O7Si and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(3-trimethoxysilylpropyl)butanedioic acid.

Molecular Properties

Compound Name2-(3-trimethoxysilylpropyl)butanedioic acid
PubChem CID19981225
Molecular FormulaC10H20O7Si
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-(3-trimethoxysilylpropyl)butanedioic acid
SMILESCO[Si](CCCC(CC(=O)O)C(=O)O)(OC)OC
InChIInChI=1S/C10H20O7Si/c1-15-18(16-2,17-3)6-4-5-8(10(13)14)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyAHNLTPNNRFETEC-UHFFFAOYSA-N
XLogP0.82
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.82
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-(3-trimethoxysilylpropyl)butanedioic acid?
The IUPAC name of 2-(3-trimethoxysilylpropyl)butanedioic acid (CID 19981225) is 2-(3-trimethoxysilylpropyl)butanedioic acid.
What is the SMILES notation for 2-(3-trimethoxysilylpropyl)butanedioic acid?
The canonical SMILES for 2-(3-trimethoxysilylpropyl)butanedioic acid is CO[Si](CCCC(CC(=O)O)C(=O)O)(OC)OC.
What is the InChIKey of 2-(3-trimethoxysilylpropyl)butanedioic acid?
The InChIKey is AHNLTPNNRFETEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O7Si/c1-15-18(16-2,17-3)6-4-5-8(10(13)14)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-trimethoxysilylpropyl)butanedioic acid?
2-(3-trimethoxysilylpropyl)butanedioic acid has a molecular weight of 280.35 g/mol, XLogP of 0.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethoxysilylpropyl)butanedioic acid is sourced from PubChem (CID 19981225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).