[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate

C14H20O2Si — CID 14715781

IUPAC[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate
SMILESC/C=C/C(OC(C)=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-5-9-14(16-12(2)15)17(3,4)13-10-7-6-8-11-13/h5-11,14H,1-4H3/b9-5+
InChIKeyFAENTDFGECVOHR-WEVVVXLNSA-N
MW248.40 g/mol
LogP2.65
Rot. Bonds4

About [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate

[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate (PubChem CID 14715781) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate
PubChem CID14715781
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate
SMILESC/C=C/C(OC(C)=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-5-9-14(16-12(2)15)17(3,4)13-10-7-6-8-11-13/h5-11,14H,1-4H3/b9-5+
InChIKeyFAENTDFGECVOHR-WEVVVXLNSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate?
The IUPAC name of [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate (CID 14715781) is [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate.
What is the SMILES notation for [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate?
The canonical SMILES for [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate is C/C=C/C(OC(C)=O)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate?
The InChIKey is FAENTDFGECVOHR-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-5-9-14(16-12(2)15)17(3,4)13-10-7-6-8-11-13/h5-11,14H,1-4H3/b9-5+.
What are the key properties of [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate?
[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate has a molecular weight of 248.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate is sourced from PubChem (CID 14715781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).