3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one

C12H22O3Si — CID 157360801

IUPAC3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one
SMILESC=C1CC(CCC[Si](C)(C)OCC)C(=O)O1
InChIInChI=1S/C12H22O3Si/c1-5-14-16(3,4)8-6-7-11-9-10(2)15-12(11)13/h11H,2,5-9H2,1,3-4H3
InChIKeyHSSYPSTXZCKTMA-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.09
Rot. Bonds6

About 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one

3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one (PubChem CID 157360801) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one.

Molecular Properties

Compound Name3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one
PubChem CID157360801
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one
SMILESC=C1CC(CCC[Si](C)(C)OCC)C(=O)O1
InChIInChI=1S/C12H22O3Si/c1-5-14-16(3,4)8-6-7-11-9-10(2)15-12(11)13/h11H,2,5-9H2,1,3-4H3
InChIKeyHSSYPSTXZCKTMA-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one?
The IUPAC name of 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one (CID 157360801) is 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one.
What is the SMILES notation for 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one?
The canonical SMILES for 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one is C=C1CC(CCC[Si](C)(C)OCC)C(=O)O1.
What is the InChIKey of 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one?
The InChIKey is HSSYPSTXZCKTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-5-14-16(3,4)8-6-7-11-9-10(2)15-12(11)13/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one?
3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one has a molecular weight of 242.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one is sourced from PubChem (CID 157360801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).