2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid

C11H20O3Si — CID 123458485

IUPAC2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid
SMILESCC=C(C(=O)O)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C11H20O3Si/c1-4-9(10(12)13)11(15(2)3)7-5-6-8-14-11/h4,15H,5-8H2,1-3H3,(H,12,13)
InChIKeyXDOYGEWIRNEPHP-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.98
Rot. Bonds3

About 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid

2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid (PubChem CID 123458485) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid.

Molecular Properties

Compound Name2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid
PubChem CID123458485
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid
SMILESCC=C(C(=O)O)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C11H20O3Si/c1-4-9(10(12)13)11(15(2)3)7-5-6-8-14-11/h4,15H,5-8H2,1-3H3,(H,12,13)
InChIKeyXDOYGEWIRNEPHP-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid?
The IUPAC name of 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid (CID 123458485) is 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid.
What is the SMILES notation for 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid?
The canonical SMILES for 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid is CC=C(C(=O)O)C1([SiH](C)C)CCCCO1.
What is the InChIKey of 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid?
The InChIKey is XDOYGEWIRNEPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-4-9(10(12)13)11(15(2)3)7-5-6-8-14-11/h4,15H,5-8H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid?
2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid has a molecular weight of 228.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dimethylsilyloxan-2-yl)but-2-enoic acid is sourced from PubChem (CID 123458485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).