prop-2-enyl 2-trimethylsilyloxypropanoate

C9H18O3Si — CID 86667393

IUPACprop-2-enyl 2-trimethylsilyloxypropanoate
SMILESC=CCOC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6-7-11-9(10)8(2)12-13(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyQBWZFKWTIBWKQW-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.96
Rot. Bonds5

About prop-2-enyl 2-trimethylsilyloxypropanoate

prop-2-enyl 2-trimethylsilyloxypropanoate (PubChem CID 86667393) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is prop-2-enyl 2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-trimethylsilyloxypropanoate
PubChem CID86667393
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Nameprop-2-enyl 2-trimethylsilyloxypropanoate
SMILESC=CCOC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6-7-11-9(10)8(2)12-13(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyQBWZFKWTIBWKQW-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-trimethylsilyloxypropanoate?
The IUPAC name of prop-2-enyl 2-trimethylsilyloxypropanoate (CID 86667393) is prop-2-enyl 2-trimethylsilyloxypropanoate.
What is the SMILES notation for prop-2-enyl 2-trimethylsilyloxypropanoate?
The canonical SMILES for prop-2-enyl 2-trimethylsilyloxypropanoate is C=CCOC(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of prop-2-enyl 2-trimethylsilyloxypropanoate?
The InChIKey is QBWZFKWTIBWKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-6-7-11-9(10)8(2)12-13(3,4)5/h6,8H,1,7H2,2-5H3.
What are the key properties of prop-2-enyl 2-trimethylsilyloxypropanoate?
prop-2-enyl 2-trimethylsilyloxypropanoate has a molecular weight of 202.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-trimethylsilyloxypropanoate is sourced from PubChem (CID 86667393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).