trimethylsilyl oct-2-enoate

C11H22O2Si — CID 533405

IUPACtrimethylsilyl oct-2-enoate
SMILESCCCCCC=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyYYMCWFXIWNIWDG-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds6

About trimethylsilyl oct-2-enoate

trimethylsilyl oct-2-enoate (PubChem CID 533405) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is trimethylsilyl oct-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl oct-2-enoate
PubChem CID533405
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametrimethylsilyl oct-2-enoate
SMILESCCCCCC=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyYYMCWFXIWNIWDG-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl oct-2-enoate?
The IUPAC name of trimethylsilyl oct-2-enoate (CID 533405) is trimethylsilyl oct-2-enoate.
What is the SMILES notation for trimethylsilyl oct-2-enoate?
The canonical SMILES for trimethylsilyl oct-2-enoate is CCCCCC=CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl oct-2-enoate?
The InChIKey is YYMCWFXIWNIWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of trimethylsilyl oct-2-enoate?
trimethylsilyl oct-2-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl oct-2-enoate is sourced from PubChem (CID 533405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).