3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione

C13H24O5Si — CID 172816330

IUPAC3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione
SMILESCCOC(C[SiH2]CCCC1CC(=O)OC1=O)OCC
InChIInChI=1S/C13H24O5Si/c1-3-16-12(17-4-2)9-19-7-5-6-10-8-11(14)18-13(10)15/h10,12H,3-9,19H2,1-2H3
InChIKeySVZSRAHNZLOMMQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.26
Rot. Bonds10

About 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione

3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione (PubChem CID 172816330) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione
PubChem CID172816330
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione
SMILESCCOC(C[SiH2]CCCC1CC(=O)OC1=O)OCC
InChIInChI=1S/C13H24O5Si/c1-3-16-12(17-4-2)9-19-7-5-6-10-8-11(14)18-13(10)15/h10,12H,3-9,19H2,1-2H3
InChIKeySVZSRAHNZLOMMQ-UHFFFAOYSA-N
XLogP1.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(2,5-dioxooxolan-3-yl)heptyl]oxolane-2,5-dione
CID 59893092
3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 23116723
3-tetratetracontyloxolane-2,5-dione
CID 14694291
(3R)-3-hexyloxolane-2,5-dione
CID 3084893
3-dotriacontyloxolane-2,5-dione
CID 14694279
ethane;3-propyloxolane-2,5-dione
CID 143734634
3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione
CID 154407791
3-(3-silylpropyl)oxolane-2,5-dione
CID 149433044
1,4-dioxane;3-octyloxolane-2,5-dione
CID 162186164
3-(3-ethylhexyl)oxolane-2,5-dione
CID 151871204
3-(11-methylpentadecyl)oxolane-2,5-dione
CID 90097452
3-(10-methylpentadecyl)oxolane-2,5-dione
CID 90097545

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione?
The IUPAC name of 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione (CID 172816330) is 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione is CCOC(C[SiH2]CCCC1CC(=O)OC1=O)OCC.
What is the InChIKey of 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione?
The InChIKey is SVZSRAHNZLOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-3-16-12(17-4-2)9-19-7-5-6-10-8-11(14)18-13(10)15/h10,12H,3-9,19H2,1-2H3.
What are the key properties of 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione?
3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione has a molecular weight of 288.42 g/mol, XLogP of 1.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione is sourced from PubChem (CID 172816330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).