2-(1-triethoxysilylpropyl)butanedioic acid

C13H26O7Si — CID 23043479

IUPAC2-(1-triethoxysilylpropyl)butanedioic acid
SMILESCCO[Si](OCC)(OCC)C(CC)C(CC(=O)O)C(=O)O
InChIInChI=1S/C13H26O7Si/c1-5-11(10(13(16)17)9-12(14)15)21(18-6-2,19-7-3)20-8-4/h10-11H,5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyXURLRNFCRMKSGO-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.99
Rot. Bonds12

About 2-(1-triethoxysilylpropyl)butanedioic acid

2-(1-triethoxysilylpropyl)butanedioic acid (PubChem CID 23043479) has the molecular formula C13H26O7Si and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(1-triethoxysilylpropyl)butanedioic acid.

Molecular Properties

Compound Name2-(1-triethoxysilylpropyl)butanedioic acid
PubChem CID23043479
Molecular FormulaC13H26O7Si
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-(1-triethoxysilylpropyl)butanedioic acid
SMILESCCO[Si](OCC)(OCC)C(CC)C(CC(=O)O)C(=O)O
InChIInChI=1S/C13H26O7Si/c1-5-11(10(13(16)17)9-12(14)15)21(18-6-2,19-7-3)20-8-4/h10-11H,5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyXURLRNFCRMKSGO-UHFFFAOYSA-N
XLogP1.99
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-trimethoxysilylpropyl)butanedioic acid
CID 140710851
3-methylhexane-1,2,4-tricarboxylic acid
CID 175281734
2-triethoxysilyloxybutanedioic acid
CID 10957429
2-(dimethoxymethyl)butanedioic acid
CID 139917524
2-(1,2-dihydroxypropyl)butanedioic acid
CID 123477214
(3S)-2-ethyl-3-hydroxypentanedioic acid
CID 87322226
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid
CID 23169573
6-ethoxy-3,4-bis(ethoxycarbonyl)-6-oxohexanoic acid
CID 18705246
2,3-bis[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]butanedioic acid
CID 174032180
2-propylsulfanyl-3-triethoxysilyldodecanoic acid
CID 174144273
(2S)-2-ethylbutanedioic acid
CID 6997245

Frequently Asked Questions

What is the IUPAC name of 2-(1-triethoxysilylpropyl)butanedioic acid?
The IUPAC name of 2-(1-triethoxysilylpropyl)butanedioic acid (CID 23043479) is 2-(1-triethoxysilylpropyl)butanedioic acid.
What is the SMILES notation for 2-(1-triethoxysilylpropyl)butanedioic acid?
The canonical SMILES for 2-(1-triethoxysilylpropyl)butanedioic acid is CCO[Si](OCC)(OCC)C(CC)C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(1-triethoxysilylpropyl)butanedioic acid?
The InChIKey is XURLRNFCRMKSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O7Si/c1-5-11(10(13(16)17)9-12(14)15)21(18-6-2,19-7-3)20-8-4/h10-11H,5-9H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1-triethoxysilylpropyl)butanedioic acid?
2-(1-triethoxysilylpropyl)butanedioic acid has a molecular weight of 322.43 g/mol, XLogP of 1.99, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-triethoxysilylpropyl)butanedioic acid is sourced from PubChem (CID 23043479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).