oxolane-2,5-dione;triethoxy(propyl)silane

C13H26O6Si — CID 22675978

IUPACoxolane-2,5-dione;triethoxy(propyl)silane
SMILESCCC[Si](OCC)(OCC)OCC.O=C1CCC(=O)O1
InChIInChI=1S/C9H22O3Si.C4H4O3/c1-5-9-13(10-6-2,11-7-3)12-8-4;5-3-1-2-4(6)7-3/h5-9H2,1-4H3;1-2H2
InChIKeyGIEHUDUKXCFTAY-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.29
Rot. Bonds8

About oxolane-2,5-dione;triethoxy(propyl)silane

oxolane-2,5-dione;triethoxy(propyl)silane (PubChem CID 22675978) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is oxolane-2,5-dione;triethoxy(propyl)silane.

Molecular Properties

Compound Nameoxolane-2,5-dione;triethoxy(propyl)silane
PubChem CID22675978
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Nameoxolane-2,5-dione;triethoxy(propyl)silane
SMILESCCC[Si](OCC)(OCC)OCC.O=C1CCC(=O)O1
InChIInChI=1S/C9H22O3Si.C4H4O3/c1-5-9-13(10-6-2,11-7-3)12-8-4;5-3-1-2-4(6)7-3/h5-9H2,1-4H3;1-2H2
InChIKeyGIEHUDUKXCFTAY-UHFFFAOYSA-N
XLogP2.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of oxolane-2,5-dione;triethoxy(propyl)silane?
The IUPAC name of oxolane-2,5-dione;triethoxy(propyl)silane (CID 22675978) is oxolane-2,5-dione;triethoxy(propyl)silane.
What is the SMILES notation for oxolane-2,5-dione;triethoxy(propyl)silane?
The canonical SMILES for oxolane-2,5-dione;triethoxy(propyl)silane is CCC[Si](OCC)(OCC)OCC.O=C1CCC(=O)O1.
What is the InChIKey of oxolane-2,5-dione;triethoxy(propyl)silane?
The InChIKey is GIEHUDUKXCFTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si.C4H4O3/c1-5-9-13(10-6-2,11-7-3)12-8-4;5-3-1-2-4(6)7-3/h5-9H2,1-4H3;1-2H2.
What are the key properties of oxolane-2,5-dione;triethoxy(propyl)silane?
oxolane-2,5-dione;triethoxy(propyl)silane has a molecular weight of 306.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,5-dione;triethoxy(propyl)silane is sourced from PubChem (CID 22675978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).