(3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione

C13H24O6Si — CID 87865871

IUPAC(3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione
SMILESCCO[Si](OCC)(OCC)C(CC)[C@H]1CC(=O)OC1=O
InChIInChI=1S/C13H24O6Si/c1-5-11(10-9-12(14)19-13(10)15)20(16-6-2,17-7-3)18-8-4/h10-11H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeySGDDYDRNSYMFNG-NFJWQWPMSA-N
MW304.42 g/mol
LogP1.90
Rot. Bonds9

About (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione

(3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione (PubChem CID 87865871) has the molecular formula C13H24O6Si and a molecular weight of 304.42 g/mol. Its IUPAC name is (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione
PubChem CID87865871
Molecular FormulaC13H24O6Si
Molecular Weight304.42 g/mol
Exact Mass304.13
IUPAC Name(3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione
SMILESCCO[Si](OCC)(OCC)C(CC)[C@H]1CC(=O)OC1=O
InChIInChI=1S/C13H24O6Si/c1-5-11(10-9-12(14)19-13(10)15)20(16-6-2,17-7-3)18-8-4/h10-11H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeySGDDYDRNSYMFNG-NFJWQWPMSA-N
XLogP1.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.90
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 (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione?
The IUPAC name of (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione (CID 87865871) is (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione.
What is the SMILES notation for (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione?
The canonical SMILES for (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione is CCO[Si](OCC)(OCC)C(CC)[C@H]1CC(=O)OC1=O.
What is the InChIKey of (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione?
The InChIKey is SGDDYDRNSYMFNG-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H24O6Si/c1-5-11(10-9-12(14)19-13(10)15)20(16-6-2,17-7-3)18-8-4/h10-11H,5-9H2,1-4H3/t10-,11?/m1/s1.
What are the key properties of (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione?
(3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione has a molecular weight of 304.42 g/mol, XLogP of 1.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione is sourced from PubChem (CID 87865871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).