but-2-en-2-yl 2-silylacetate

C6H12O2Si — CID 173351577

IUPACbut-2-en-2-yl 2-silylacetate
SMILESCC=C(C)OC(=O)C[SiH3]
InChIInChI=1S/C6H12O2Si/c1-3-5(2)8-6(7)4-9/h3H,4H2,1-2,9H3
InChIKeyIPYITIXJBOTYIF-UHFFFAOYSA-N
MW144.25 g/mol
LogP0.24
Rot. Bonds2

About but-2-en-2-yl 2-silylacetate

but-2-en-2-yl 2-silylacetate (PubChem CID 173351577) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is but-2-en-2-yl 2-silylacetate.

Molecular Properties

Compound Namebut-2-en-2-yl 2-silylacetate
PubChem CID173351577
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Namebut-2-en-2-yl 2-silylacetate
SMILESCC=C(C)OC(=O)C[SiH3]
InChIInChI=1S/C6H12O2Si/c1-3-5(2)8-6(7)4-9/h3H,4H2,1-2,9H3
InChIKeyIPYITIXJBOTYIF-UHFFFAOYSA-N
XLogP0.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-en-2-yl 2-silylacetate?
The IUPAC name of but-2-en-2-yl 2-silylacetate (CID 173351577) is but-2-en-2-yl 2-silylacetate.
What is the SMILES notation for but-2-en-2-yl 2-silylacetate?
The canonical SMILES for but-2-en-2-yl 2-silylacetate is CC=C(C)OC(=O)C[SiH3].
What is the InChIKey of but-2-en-2-yl 2-silylacetate?
The InChIKey is IPYITIXJBOTYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-3-5(2)8-6(7)4-9/h3H,4H2,1-2,9H3.
What are the key properties of but-2-en-2-yl 2-silylacetate?
but-2-en-2-yl 2-silylacetate has a molecular weight of 144.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yl 2-silylacetate is sourced from PubChem (CID 173351577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).