4-(2,2-diethoxyethenylsilyl)butanoic acid

C10H20O4Si — CID 154120282

IUPAC4-(2,2-diethoxyethenylsilyl)butanoic acid
SMILESCCOC(=C[SiH2]CCCC(=O)O)OCC
InChIInChI=1S/C10H20O4Si/c1-3-13-10(14-4-2)8-15-7-5-6-9(11)12/h8H,3-7,15H2,1-2H3,(H,11,12)
InChIKeyBEJKXRQQNKWBES-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.31
Rot. Bonds9

About 4-(2,2-diethoxyethenylsilyl)butanoic acid

4-(2,2-diethoxyethenylsilyl)butanoic acid (PubChem CID 154120282) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-(2,2-diethoxyethenylsilyl)butanoic acid.

Molecular Properties

Compound Name4-(2,2-diethoxyethenylsilyl)butanoic acid
PubChem CID154120282
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name4-(2,2-diethoxyethenylsilyl)butanoic acid
SMILESCCOC(=C[SiH2]CCCC(=O)O)OCC
InChIInChI=1S/C10H20O4Si/c1-3-13-10(14-4-2)8-15-7-5-6-9(11)12/h8H,3-7,15H2,1-2H3,(H,11,12)
InChIKeyBEJKXRQQNKWBES-UHFFFAOYSA-N
XLogP1.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylprop-1-enylsilyl)pentanoic acid
CID 152713425
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
4-methylsilylbutanoic acid
CID 123603820
2,2-diethoxyethenyl(methoxymethyl)silane
CID 175785348
ethanamine;hexanedioic acid
CID 173189130
ethyl octanoate;octanoic acid
CID 18625122
5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538
ethyl 3-hydroxybutanoate;hexanedioic acid
CID 175499749
ethyl 2-hydroxypropanoate;hexanoic acid
CID 175216225
18-ethoxy-17-ethoxycarbonyl-18-oxooctadecanoic acid
CID 86116026

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethenylsilyl)butanoic acid?
The IUPAC name of 4-(2,2-diethoxyethenylsilyl)butanoic acid (CID 154120282) is 4-(2,2-diethoxyethenylsilyl)butanoic acid.
What is the SMILES notation for 4-(2,2-diethoxyethenylsilyl)butanoic acid?
The canonical SMILES for 4-(2,2-diethoxyethenylsilyl)butanoic acid is CCOC(=C[SiH2]CCCC(=O)O)OCC.
What is the InChIKey of 4-(2,2-diethoxyethenylsilyl)butanoic acid?
The InChIKey is BEJKXRQQNKWBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-3-13-10(14-4-2)8-15-7-5-6-9(11)12/h8H,3-7,15H2,1-2H3,(H,11,12).
What are the key properties of 4-(2,2-diethoxyethenylsilyl)butanoic acid?
4-(2,2-diethoxyethenylsilyl)butanoic acid has a molecular weight of 232.35 g/mol, XLogP of 1.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethenylsilyl)butanoic acid is sourced from PubChem (CID 154120282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).