2-trimethylsilylethyl hex-4-enoate

C11H22O2Si — CID 141099684

IUPAC2-trimethylsilylethyl hex-4-enoate
SMILESCC=CCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-6-7-8-11(12)13-9-10-14(2,3)4/h5-6H,7-10H2,1-4H3
InChIKeyWYRNATYGLWSRQK-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds6

About 2-trimethylsilylethyl hex-4-enoate

2-trimethylsilylethyl hex-4-enoate (PubChem CID 141099684) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-trimethylsilylethyl hex-4-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl hex-4-enoate
PubChem CID141099684
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name2-trimethylsilylethyl hex-4-enoate
SMILESCC=CCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-6-7-8-11(12)13-9-10-14(2,3)4/h5-6H,7-10H2,1-4H3
InChIKeyWYRNATYGLWSRQK-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.22
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 2-trimethylsilylethyl hex-4-enoate?
The IUPAC name of 2-trimethylsilylethyl hex-4-enoate (CID 141099684) is 2-trimethylsilylethyl hex-4-enoate.
What is the SMILES notation for 2-trimethylsilylethyl hex-4-enoate?
The canonical SMILES for 2-trimethylsilylethyl hex-4-enoate is CC=CCCC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl hex-4-enoate?
The InChIKey is WYRNATYGLWSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-6-7-8-11(12)13-9-10-14(2,3)4/h5-6H,7-10H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl hex-4-enoate?
2-trimethylsilylethyl hex-4-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl hex-4-enoate is sourced from PubChem (CID 141099684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).