but-2-enyl 2-trimethylsilyloxypropanoate

C10H20O3Si — CID 140586481

IUPACbut-2-enyl 2-trimethylsilyloxypropanoate
SMILESCC=CCOC(=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
InChIKeyOWGWBRMMXMTOLQ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.35
Rot. Bonds5

About but-2-enyl 2-trimethylsilyloxypropanoate

but-2-enyl 2-trimethylsilyloxypropanoate (PubChem CID 140586481) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is but-2-enyl 2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namebut-2-enyl 2-trimethylsilyloxypropanoate
PubChem CID140586481
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Namebut-2-enyl 2-trimethylsilyloxypropanoate
SMILESCC=CCOC(=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
InChIKeyOWGWBRMMXMTOLQ-UHFFFAOYSA-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 but-2-enyl 2-trimethylsilyloxypropanoate?
The IUPAC name of but-2-enyl 2-trimethylsilyloxypropanoate (CID 140586481) is but-2-enyl 2-trimethylsilyloxypropanoate.
What is the SMILES notation for but-2-enyl 2-trimethylsilyloxypropanoate?
The canonical SMILES for but-2-enyl 2-trimethylsilyloxypropanoate is CC=CCOC(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of but-2-enyl 2-trimethylsilyloxypropanoate?
The InChIKey is OWGWBRMMXMTOLQ-UHFFFAOYSA-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.
What are the key properties of but-2-enyl 2-trimethylsilyloxypropanoate?
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 but-2-enyl 2-trimethylsilyloxypropanoate is sourced from PubChem (CID 140586481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).