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

C7H12O3Si — CID 149433044

IUPAC3-(3-silylpropyl)oxolane-2,5-dione
SMILESO=C1CC(CCC[SiH3])C(=O)O1
InChIInChI=1S/C7H12O3Si/c8-6-4-5(2-1-3-11)7(9)10-6/h5H,1-4H2,11H3
InChIKeyCVXRTIWVUKWNJA-UHFFFAOYSA-N
MW172.26 g/mol
LogP-0.36
Rot. Bonds3

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

3-(3-silylpropyl)oxolane-2,5-dione (PubChem CID 149433044) has the molecular formula C7H12O3Si and a molecular weight of 172.26 g/mol. Its IUPAC name is 3-(3-silylpropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(3-silylpropyl)oxolane-2,5-dione
PubChem CID149433044
Molecular FormulaC7H12O3Si
Molecular Weight172.26 g/mol
Exact Mass172.06
IUPAC Name3-(3-silylpropyl)oxolane-2,5-dione
SMILESO=C1CC(CCC[SiH3])C(=O)O1
InChIInChI=1S/C7H12O3Si/c8-6-4-5(2-1-3-11)7(9)10-6/h5H,1-4H2,11H3
InChIKeyCVXRTIWVUKWNJA-UHFFFAOYSA-N
XLogP-0.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(3-silylpropyl)oxolane-2,5-dione?
The IUPAC name of 3-(3-silylpropyl)oxolane-2,5-dione (CID 149433044) is 3-(3-silylpropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(3-silylpropyl)oxolane-2,5-dione?
The canonical SMILES for 3-(3-silylpropyl)oxolane-2,5-dione is O=C1CC(CCC[SiH3])C(=O)O1.
What is the InChIKey of 3-(3-silylpropyl)oxolane-2,5-dione?
The InChIKey is CVXRTIWVUKWNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3Si/c8-6-4-5(2-1-3-11)7(9)10-6/h5H,1-4H2,11H3.
What are the key properties of 3-(3-silylpropyl)oxolane-2,5-dione?
3-(3-silylpropyl)oxolane-2,5-dione has a molecular weight of 172.26 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-silylpropyl)oxolane-2,5-dione is sourced from PubChem (CID 149433044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).