[4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate

C13H24O3Si — CID 22754089

IUPAC[4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
SMILESCCCC[Si](C)(C)OC1C=CC(OC(C)=O)C1
InChIInChI=1S/C13H24O3Si/c1-5-6-9-17(3,4)16-13-8-7-12(10-13)15-11(2)14/h7-8,12-13H,5-6,9-10H2,1-4H3
InChIKeyFSWPYMDVXMUHHH-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds6

About [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate

[4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate (PubChem CID 22754089) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
PubChem CID22754089
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name[4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
SMILESCCCC[Si](C)(C)OC1C=CC(OC(C)=O)C1
InChIInChI=1S/C13H24O3Si/c1-5-6-9-17(3,4)16-13-8-7-12(10-13)15-11(2)14/h7-8,12-13H,5-6,9-10H2,1-4H3
InChIKeyFSWPYMDVXMUHHH-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The IUPAC name of [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate (CID 22754089) is [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The canonical SMILES for [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate is CCCC[Si](C)(C)OC1C=CC(OC(C)=O)C1.
What is the InChIKey of [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The InChIKey is FSWPYMDVXMUHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-5-6-9-17(3,4)16-13-8-7-12(10-13)15-11(2)14/h7-8,12-13H,5-6,9-10H2,1-4H3.
What are the key properties of [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
[4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate has a molecular weight of 256.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 22754089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).