2-(1-trimethoxysilylpropyl)butanedioic acid

C10H20O7Si — CID 140710851

IUPAC2-(1-trimethoxysilylpropyl)butanedioic acid
SMILESCCC(C(CC(=O)O)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C10H20O7Si/c1-5-8(18(15-2,16-3)17-4)7(10(13)14)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyUITYIPGVNKCHRL-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.82
Rot. Bonds9

About 2-(1-trimethoxysilylpropyl)butanedioic acid

2-(1-trimethoxysilylpropyl)butanedioic acid (PubChem CID 140710851) has the molecular formula C10H20O7Si and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(1-trimethoxysilylpropyl)butanedioic acid.

Molecular Properties

Compound Name2-(1-trimethoxysilylpropyl)butanedioic acid
PubChem CID140710851
Molecular FormulaC10H20O7Si
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-(1-trimethoxysilylpropyl)butanedioic acid
SMILESCCC(C(CC(=O)O)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C10H20O7Si/c1-5-8(18(15-2,16-3)17-4)7(10(13)14)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyUITYIPGVNKCHRL-UHFFFAOYSA-N
XLogP0.82
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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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Related Compounds

2-(1-triethoxysilylpropyl)butanedioic acid
CID 23043479
2-(dimethoxymethyl)butanedioic acid
CID 139917524
2-(1-trimethoxysilylpropylamino)butanedioic acid
CID 87880478
3-methylhexane-1,2,4-tricarboxylic acid
CID 175281734
(3S)-2-ethyl-3-hydroxypentanedioic acid
CID 87322226
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
2-trimethoxysilylpropanoic acid
CID 19100244
(2S)-2-ethylbutanedioic acid
CID 6997245
(2S)-2-(2-methoxy-2-oxoethyl)-3-methylpentanoic acid
CID 158850250
2-ethyl-3-methoxybutanoic acid
CID 54291806
2-(1,2-dihydroxypropyl)butanedioic acid
CID 123477214
2-(2-trimethoxysilylethyl)butanedioic acid
CID 142550319

Frequently Asked Questions

What is the IUPAC name of 2-(1-trimethoxysilylpropyl)butanedioic acid?
The IUPAC name of 2-(1-trimethoxysilylpropyl)butanedioic acid (CID 140710851) is 2-(1-trimethoxysilylpropyl)butanedioic acid.
What is the SMILES notation for 2-(1-trimethoxysilylpropyl)butanedioic acid?
The canonical SMILES for 2-(1-trimethoxysilylpropyl)butanedioic acid is CCC(C(CC(=O)O)C(=O)O)[Si](OC)(OC)OC.
What is the InChIKey of 2-(1-trimethoxysilylpropyl)butanedioic acid?
The InChIKey is UITYIPGVNKCHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O7Si/c1-5-8(18(15-2,16-3)17-4)7(10(13)14)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-(1-trimethoxysilylpropyl)butanedioic acid?
2-(1-trimethoxysilylpropyl)butanedioic acid has a molecular weight of 280.35 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-trimethoxysilylpropyl)butanedioic acid is sourced from PubChem (CID 140710851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).