3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione

C11H18O5Si — CID 123219658

IUPAC3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione
SMILESCO[Si](C)(CC=CCC1CC(=O)OC1=O)OC
InChIInChI=1S/C11H18O5Si/c1-14-17(3,15-2)7-5-4-6-9-8-10(12)16-11(9)13/h4-5,9H,6-8H2,1-3H3
InChIKeyOZJTYZBACSFEDX-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.39
Rot. Bonds6

About 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione

3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione (PubChem CID 123219658) has the molecular formula C11H18O5Si and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione
PubChem CID123219658
Molecular FormulaC11H18O5Si
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione
SMILESCO[Si](C)(CC=CCC1CC(=O)OC1=O)OC
InChIInChI=1S/C11H18O5Si/c1-14-17(3,15-2)7-5-4-6-9-8-10(12)16-11(9)13/h4-5,9H,6-8H2,1-3H3
InChIKeyOZJTYZBACSFEDX-UHFFFAOYSA-N
XLogP1.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione 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 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione?
The IUPAC name of 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione (CID 123219658) is 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione?
The canonical SMILES for 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione is CO[Si](C)(CC=CCC1CC(=O)OC1=O)OC.
What is the InChIKey of 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione?
The InChIKey is OZJTYZBACSFEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5Si/c1-14-17(3,15-2)7-5-4-6-9-8-10(12)16-11(9)13/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione?
3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione has a molecular weight of 258.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[dimethoxy(methyl)silyl]but-2-enyl]oxolane-2,5-dione is sourced from PubChem (CID 123219658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).