3-(3-tripropoxysilylpropyl)oxolane-2,5-dione

C16H30O6Si — CID 152641894

IUPAC3-(3-tripropoxysilylpropyl)oxolane-2,5-dione
SMILESCCCO[Si](CCCC1CC(=O)OC1=O)(OCCC)OCCC
InChIInChI=1S/C16H30O6Si/c1-4-9-19-23(20-10-5-2,21-11-6-3)12-7-8-14-13-15(17)22-16(14)18/h14H,4-13H2,1-3H3
InChIKeyZFSZMJMTAYRNCJ-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.08
Rot. Bonds13

About 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione

3-(3-tripropoxysilylpropyl)oxolane-2,5-dione (PubChem CID 152641894) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(3-tripropoxysilylpropyl)oxolane-2,5-dione
PubChem CID152641894
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name3-(3-tripropoxysilylpropyl)oxolane-2,5-dione
SMILESCCCO[Si](CCCC1CC(=O)OC1=O)(OCCC)OCCC
InChIInChI=1S/C16H30O6Si/c1-4-9-19-23(20-10-5-2,21-11-6-3)12-7-8-14-13-15(17)22-16(14)18/h14H,4-13H2,1-3H3
InChIKeyZFSZMJMTAYRNCJ-UHFFFAOYSA-N
XLogP3.08
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.08
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'}

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Related Compounds

3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 23116723
3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione
CID 142624035
(3R)-3-hexyloxolane-2,5-dione
CID 3084893
3-dotriacontyloxolane-2,5-dione
CID 14694279
3-tetratetracontyloxolane-2,5-dione
CID 14694291
3-[3-[dimethylsilyloxy(dimethyl)silyl]propyl]oxolane-2,5-dione
CID 140795995
ethane;3-propyloxolane-2,5-dione
CID 143734634
3-[7-(2,5-dioxooxolan-3-yl)heptyl]oxolane-2,5-dione
CID 59893092
1,4-dioxane;3-octyloxolane-2,5-dione
CID 162186164
3-(2-methoxyethyl)oxolane-2,5-dione
CID 13255588
4-(3-tripropoxysilylpropyl)cyclohexan-1-one
CID 141200065
3-[(E)-henicos-10-enyl]oxolane-2,5-dione
CID 101277064

Frequently Asked Questions

What is the IUPAC name of 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione?
The IUPAC name of 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione (CID 152641894) is 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione?
The canonical SMILES for 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione is CCCO[Si](CCCC1CC(=O)OC1=O)(OCCC)OCCC.
What is the InChIKey of 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione?
The InChIKey is ZFSZMJMTAYRNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6Si/c1-4-9-19-23(20-10-5-2,21-11-6-3)12-7-8-14-13-15(17)22-16(14)18/h14H,4-13H2,1-3H3.
What are the key properties of 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione?
3-(3-tripropoxysilylpropyl)oxolane-2,5-dione has a molecular weight of 346.50 g/mol, XLogP of 3.08, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tripropoxysilylpropyl)oxolane-2,5-dione is sourced from PubChem (CID 152641894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).