2-(3-trimethylsilylpropyl)butanedioic acid

C10H20O4Si — CID 58810967

IUPAC2-(3-trimethylsilylpropyl)butanedioic acid
SMILESC[Si](C)(C)CCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H20O4Si/c1-15(2,3)6-4-5-8(10(13)14)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIWJAGQAMGRDDBD-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.28
Rot. Bonds7

About 2-(3-trimethylsilylpropyl)butanedioic acid

2-(3-trimethylsilylpropyl)butanedioic acid (PubChem CID 58810967) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(3-trimethylsilylpropyl)butanedioic acid.

Molecular Properties

Compound Name2-(3-trimethylsilylpropyl)butanedioic acid
PubChem CID58810967
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name2-(3-trimethylsilylpropyl)butanedioic acid
SMILESC[Si](C)(C)CCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H20O4Si/c1-15(2,3)6-4-5-8(10(13)14)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIWJAGQAMGRDDBD-UHFFFAOYSA-N
XLogP2.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-trimethylsilylpropyl)butanedioic acid?
The IUPAC name of 2-(3-trimethylsilylpropyl)butanedioic acid (CID 58810967) is 2-(3-trimethylsilylpropyl)butanedioic acid.
What is the SMILES notation for 2-(3-trimethylsilylpropyl)butanedioic acid?
The canonical SMILES for 2-(3-trimethylsilylpropyl)butanedioic acid is C[Si](C)(C)CCCC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(3-trimethylsilylpropyl)butanedioic acid?
The InChIKey is IWJAGQAMGRDDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-15(2,3)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-trimethylsilylpropyl)butanedioic acid?
2-(3-trimethylsilylpropyl)butanedioic acid has a molecular weight of 232.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethylsilylpropyl)butanedioic acid is sourced from PubChem (CID 58810967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).