3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione

C10H18O5Si — CID 87125311

IUPAC3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione
SMILESCCC(C1CC(=O)OC1=O)[Si](C)(OC)OC
InChIInChI=1S/C10H18O5Si/c1-5-8(16(4,13-2)14-3)7-6-9(11)15-10(7)12/h7-8H,5-6H2,1-4H3
InChIKeyMDABVAMLLSAVKX-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.22
Rot. Bonds5

About 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione

3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione (PubChem CID 87125311) has the molecular formula C10H18O5Si and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione
PubChem CID87125311
Molecular FormulaC10H18O5Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione
SMILESCCC(C1CC(=O)OC1=O)[Si](C)(OC)OC
InChIInChI=1S/C10H18O5Si/c1-5-8(16(4,13-2)14-3)7-6-9(11)15-10(7)12/h7-8H,5-6H2,1-4H3
InChIKeyMDABVAMLLSAVKX-UHFFFAOYSA-N
XLogP1.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.22
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'}

Analyze 3-[1-[dimethoxy(methyl)silyl]propyl]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-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The IUPAC name of 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione (CID 87125311) is 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione is CCC(C1CC(=O)OC1=O)[Si](C)(OC)OC.
What is the InChIKey of 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The InChIKey is MDABVAMLLSAVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5Si/c1-5-8(16(4,13-2)14-3)7-6-9(11)15-10(7)12/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione has a molecular weight of 246.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione is sourced from PubChem (CID 87125311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).