[(E)-but-2-enyl] 2-trimethylsilyloxypropanoate

C10H20O3Si — CID 88549939

IUPAC[(E)-but-2-enyl] 2-trimethylsilyloxypropanoate
SMILESC/C=C/COC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-8-12-10(11)9(2)13-14(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyOWGWBRMMXMTOLQ-VOTSOKGWSA-N
MW216.35 g/mol
LogP2.35
Rot. Bonds5

About [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate

[(E)-but-2-enyl] 2-trimethylsilyloxypropanoate (PubChem CID 88549939) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 2-trimethylsilyloxypropanoate
PubChem CID88549939
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name[(E)-but-2-enyl] 2-trimethylsilyloxypropanoate
SMILESC/C=C/COC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-8-12-10(11)9(2)13-14(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyOWGWBRMMXMTOLQ-VOTSOKGWSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.35
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 [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate?
The IUPAC name of [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate (CID 88549939) is [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate.
What is the SMILES notation for [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate?
The canonical SMILES for [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate is C/C=C/COC(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate?
The InChIKey is OWGWBRMMXMTOLQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-7-8-12-10(11)9(2)13-14(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+.
What are the key properties of [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate?
[(E)-but-2-enyl] 2-trimethylsilyloxypropanoate has a molecular weight of 216.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 2-trimethylsilyloxypropanoate is sourced from PubChem (CID 88549939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).