2-dimethylsilylbut-3-enoic acid

C6H12O2Si — CID 151998152

IUPAC2-dimethylsilylbut-3-enoic acid
SMILESC=CC(C(=O)O)[SiH](C)C
InChIInChI=1S/C6H12O2Si/c1-4-5(6(7)8)9(2)3/h4-5,9H,1H2,2-3H3,(H,7,8)
InChIKeyUGCPJBNEDKMFGY-UHFFFAOYSA-N
MW144.25 g/mol
LogP1.11
Rot. Bonds3

About 2-dimethylsilylbut-3-enoic acid

2-dimethylsilylbut-3-enoic acid (PubChem CID 151998152) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is 2-dimethylsilylbut-3-enoic acid.

Molecular Properties

Compound Name2-dimethylsilylbut-3-enoic acid
PubChem CID151998152
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name2-dimethylsilylbut-3-enoic acid
SMILESC=CC(C(=O)O)[SiH](C)C
InChIInChI=1S/C6H12O2Si/c1-4-5(6(7)8)9(2)3/h4-5,9H,1H2,2-3H3,(H,7,8)
InChIKeyUGCPJBNEDKMFGY-UHFFFAOYSA-N
XLogP1.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilylbut-3-enoic acid?
The IUPAC name of 2-dimethylsilylbut-3-enoic acid (CID 151998152) is 2-dimethylsilylbut-3-enoic acid.
What is the SMILES notation for 2-dimethylsilylbut-3-enoic acid?
The canonical SMILES for 2-dimethylsilylbut-3-enoic acid is C=CC(C(=O)O)[SiH](C)C.
What is the InChIKey of 2-dimethylsilylbut-3-enoic acid?
The InChIKey is UGCPJBNEDKMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-4-5(6(7)8)9(2)3/h4-5,9H,1H2,2-3H3,(H,7,8).
What are the key properties of 2-dimethylsilylbut-3-enoic acid?
2-dimethylsilylbut-3-enoic acid has a molecular weight of 144.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilylbut-3-enoic acid is sourced from PubChem (CID 151998152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).