3-propyl-3-trimethoxysilyloxolane-2,5-dione

C10H18O6Si — CID 140683995

IUPAC3-propyl-3-trimethoxysilyloxolane-2,5-dione
SMILESCCCC1([Si](OC)(OC)OC)CC(=O)OC1=O
InChIInChI=1S/C10H18O6Si/c1-5-6-10(7-8(11)16-9(10)12)17(13-2,14-3)15-4/h5-7H2,1-4H3
InChIKeyNMZSYJURNAHAPI-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.88
Rot. Bonds6

About 3-propyl-3-trimethoxysilyloxolane-2,5-dione

3-propyl-3-trimethoxysilyloxolane-2,5-dione (PubChem CID 140683995) has the molecular formula C10H18O6Si and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-propyl-3-trimethoxysilyloxolane-2,5-dione.

Molecular Properties

Compound Name3-propyl-3-trimethoxysilyloxolane-2,5-dione
PubChem CID140683995
Molecular FormulaC10H18O6Si
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name3-propyl-3-trimethoxysilyloxolane-2,5-dione
SMILESCCCC1([Si](OC)(OC)OC)CC(=O)OC1=O
InChIInChI=1S/C10H18O6Si/c1-5-6-10(7-8(11)16-9(10)12)17(13-2,14-3)15-4/h5-7H2,1-4H3
InChIKeyNMZSYJURNAHAPI-UHFFFAOYSA-N
XLogP0.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-propyl-3-trimethoxysilyloxolane-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-propyl-3-trimethoxysilyloxolane-2,5-dione?
The IUPAC name of 3-propyl-3-trimethoxysilyloxolane-2,5-dione (CID 140683995) is 3-propyl-3-trimethoxysilyloxolane-2,5-dione.
What is the SMILES notation for 3-propyl-3-trimethoxysilyloxolane-2,5-dione?
The canonical SMILES for 3-propyl-3-trimethoxysilyloxolane-2,5-dione is CCCC1([Si](OC)(OC)OC)CC(=O)OC1=O.
What is the InChIKey of 3-propyl-3-trimethoxysilyloxolane-2,5-dione?
The InChIKey is NMZSYJURNAHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6Si/c1-5-6-10(7-8(11)16-9(10)12)17(13-2,14-3)15-4/h5-7H2,1-4H3.
What are the key properties of 3-propyl-3-trimethoxysilyloxolane-2,5-dione?
3-propyl-3-trimethoxysilyloxolane-2,5-dione has a molecular weight of 262.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-trimethoxysilyloxolane-2,5-dione is sourced from PubChem (CID 140683995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).