5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one

C11H20O5Si — CID 157360800

IUPAC5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one
SMILESC=C1CC(CCC[Si](OC)(OC)OC)C(=O)O1
InChIInChI=1S/C11H20O5Si/c1-9-8-10(11(12)16-9)6-5-7-17(13-2,14-3)15-4/h10H,1,5-8H2,2-4H3
InChIKeyIHROIZYATKBMLF-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.72
Rot. Bonds7

About 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one

5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one (PubChem CID 157360800) has the molecular formula C11H20O5Si and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one.

Molecular Properties

Compound Name5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one
PubChem CID157360800
Molecular FormulaC11H20O5Si
Molecular Weight260.36 g/mol
Exact Mass260.11
IUPAC Name5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one
SMILESC=C1CC(CCC[Si](OC)(OC)OC)C(=O)O1
InChIInChI=1S/C11H20O5Si/c1-9-8-10(11(12)16-9)6-5-7-17(13-2,14-3)15-4/h10H,1,5-8H2,2-4H3
InChIKeyIHROIZYATKBMLF-UHFFFAOYSA-N
XLogP1.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one?
The IUPAC name of 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one (CID 157360800) is 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one.
What is the SMILES notation for 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one?
The canonical SMILES for 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one is C=C1CC(CCC[Si](OC)(OC)OC)C(=O)O1.
What is the InChIKey of 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one?
The InChIKey is IHROIZYATKBMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5Si/c1-9-8-10(11(12)16-9)6-5-7-17(13-2,14-3)15-4/h10H,1,5-8H2,2-4H3.
What are the key properties of 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one?
5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one has a molecular weight of 260.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one is sourced from PubChem (CID 157360800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).