2-trimethylsilylethyl pent-4-enoate

C10H20O2Si — CID 15360091

IUPAC2-trimethylsilylethyl pent-4-enoate
SMILESC=CCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-5-6-7-10(11)12-8-9-13(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyNXLZNYVJHTUMRN-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds6

About 2-trimethylsilylethyl pent-4-enoate

2-trimethylsilylethyl pent-4-enoate (PubChem CID 15360091) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-trimethylsilylethyl pent-4-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl pent-4-enoate
PubChem CID15360091
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-trimethylsilylethyl pent-4-enoate
SMILESC=CCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-5-6-7-10(11)12-8-9-13(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyNXLZNYVJHTUMRN-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 2-trimethylsilylethyl pent-4-enoate?
The IUPAC name of 2-trimethylsilylethyl pent-4-enoate (CID 15360091) is 2-trimethylsilylethyl pent-4-enoate.
What is the SMILES notation for 2-trimethylsilylethyl pent-4-enoate?
The canonical SMILES for 2-trimethylsilylethyl pent-4-enoate is C=CCCC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl pent-4-enoate?
The InChIKey is NXLZNYVJHTUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-5-6-7-10(11)12-8-9-13(2,3)4/h5H,1,6-9H2,2-4H3.
What are the key properties of 2-trimethylsilylethyl pent-4-enoate?
2-trimethylsilylethyl pent-4-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl pent-4-enoate is sourced from PubChem (CID 15360091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).