5-(3-triethoxysilylpropyl)oxolane-2,4-dione

C13H24O6Si — CID 140781108

IUPAC5-(3-triethoxysilylpropyl)oxolane-2,4-dione
SMILESCCO[Si](CCCC1OC(=O)CC1=O)(OCC)OCC
InChIInChI=1S/C13H24O6Si/c1-4-16-20(17-5-2,18-6-3)9-7-8-12-11(14)10-13(15)19-12/h12H,4-10H2,1-3H3
InChIKeyYZCKZANZCJLZPE-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.70
Rot. Bonds10

About 5-(3-triethoxysilylpropyl)oxolane-2,4-dione

5-(3-triethoxysilylpropyl)oxolane-2,4-dione (PubChem CID 140781108) has the molecular formula C13H24O6Si and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-(3-triethoxysilylpropyl)oxolane-2,4-dione.

Molecular Properties

Compound Name5-(3-triethoxysilylpropyl)oxolane-2,4-dione
PubChem CID140781108
Molecular FormulaC13H24O6Si
Molecular Weight304.42 g/mol
Exact Mass304.13
IUPAC Name5-(3-triethoxysilylpropyl)oxolane-2,4-dione
SMILESCCO[Si](CCCC1OC(=O)CC1=O)(OCC)OCC
InChIInChI=1S/C13H24O6Si/c1-4-16-20(17-5-2,18-6-3)9-7-8-12-11(14)10-13(15)19-12/h12H,4-10H2,1-3H3
InChIKeyYZCKZANZCJLZPE-UHFFFAOYSA-N
XLogP1.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.70
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 5-(3-triethoxysilylpropyl)oxolane-2,4-dione?
The IUPAC name of 5-(3-triethoxysilylpropyl)oxolane-2,4-dione (CID 140781108) is 5-(3-triethoxysilylpropyl)oxolane-2,4-dione.
What is the SMILES notation for 5-(3-triethoxysilylpropyl)oxolane-2,4-dione?
The canonical SMILES for 5-(3-triethoxysilylpropyl)oxolane-2,4-dione is CCO[Si](CCCC1OC(=O)CC1=O)(OCC)OCC.
What is the InChIKey of 5-(3-triethoxysilylpropyl)oxolane-2,4-dione?
The InChIKey is YZCKZANZCJLZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6Si/c1-4-16-20(17-5-2,18-6-3)9-7-8-12-11(14)10-13(15)19-12/h12H,4-10H2,1-3H3.
What are the key properties of 5-(3-triethoxysilylpropyl)oxolane-2,4-dione?
5-(3-triethoxysilylpropyl)oxolane-2,4-dione has a molecular weight of 304.42 g/mol, XLogP of 1.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-triethoxysilylpropyl)oxolane-2,4-dione is sourced from PubChem (CID 140781108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).