but-2-en-2-ylsilyl acetate

C6H12O2Si — CID 173050843

IUPACbut-2-en-2-ylsilyl acetate
SMILESCC=C(C)[SiH2]OC(C)=O
InChIInChI=1S/C6H12O2Si/c1-4-5(2)9-8-6(3)7/h4H,9H2,1-3H3
InChIKeyZCXFHZMUAWYWNN-UHFFFAOYSA-N
MW144.25 g/mol
LogP0.56
Rot. Bonds2

About but-2-en-2-ylsilyl acetate

but-2-en-2-ylsilyl acetate (PubChem CID 173050843) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is but-2-en-2-ylsilyl acetate.

Molecular Properties

Compound Namebut-2-en-2-ylsilyl acetate
PubChem CID173050843
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Namebut-2-en-2-ylsilyl acetate
SMILESCC=C(C)[SiH2]OC(C)=O
InChIInChI=1S/C6H12O2Si/c1-4-5(2)9-8-6(3)7/h4H,9H2,1-3H3
InChIKeyZCXFHZMUAWYWNN-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
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 but-2-en-2-ylsilyl acetate?
The IUPAC name of but-2-en-2-ylsilyl acetate (CID 173050843) is but-2-en-2-ylsilyl acetate.
What is the SMILES notation for but-2-en-2-ylsilyl acetate?
The canonical SMILES for but-2-en-2-ylsilyl acetate is CC=C(C)[SiH2]OC(C)=O.
What is the InChIKey of but-2-en-2-ylsilyl acetate?
The InChIKey is ZCXFHZMUAWYWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-4-5(2)9-8-6(3)7/h4H,9H2,1-3H3.
What are the key properties of but-2-en-2-ylsilyl acetate?
but-2-en-2-ylsilyl acetate has a molecular weight of 144.25 g/mol, XLogP of 0.56, 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-ylsilyl acetate is sourced from PubChem (CID 173050843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).