ethyl 3-trimethylsilylpent-4-enoate

C10H20O2Si — CID 14214593

IUPACethyl 3-trimethylsilylpent-4-enoate
SMILESC=CC(CC(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-9(13(3,4)5)8-10(11)12-7-2/h6,9H,1,7-8H2,2-5H3
InChIKeyBWZNCQMWEJSNLG-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds5

About ethyl 3-trimethylsilylpent-4-enoate

ethyl 3-trimethylsilylpent-4-enoate (PubChem CID 14214593) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is ethyl 3-trimethylsilylpent-4-enoate.

Molecular Properties

Compound Nameethyl 3-trimethylsilylpent-4-enoate
PubChem CID14214593
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nameethyl 3-trimethylsilylpent-4-enoate
SMILESC=CC(CC(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-9(13(3,4)5)8-10(11)12-7-2/h6,9H,1,7-8H2,2-5H3
InChIKeyBWZNCQMWEJSNLG-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl 3-trimethylsilylpent-4-enoate?
The IUPAC name of ethyl 3-trimethylsilylpent-4-enoate (CID 14214593) is ethyl 3-trimethylsilylpent-4-enoate.
What is the SMILES notation for ethyl 3-trimethylsilylpent-4-enoate?
The canonical SMILES for ethyl 3-trimethylsilylpent-4-enoate is C=CC(CC(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl 3-trimethylsilylpent-4-enoate?
The InChIKey is BWZNCQMWEJSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-9(13(3,4)5)8-10(11)12-7-2/h6,9H,1,7-8H2,2-5H3.
What are the key properties of ethyl 3-trimethylsilylpent-4-enoate?
ethyl 3-trimethylsilylpent-4-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-trimethylsilylpent-4-enoate is sourced from PubChem (CID 14214593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).