trimethylsilyl (E)-2-propylpent-2-enoate

C11H22O2Si — CID 5352357

IUPACtrimethylsilyl (E)-2-propylpent-2-enoate
SMILESCC/C=C(\CCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h8H,6-7,9H2,1-5H3/b10-8+
InChIKeyKGWGDWFLOXQJIH-CSKARUKUSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds5

About trimethylsilyl (E)-2-propylpent-2-enoate

trimethylsilyl (E)-2-propylpent-2-enoate (PubChem CID 5352357) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is trimethylsilyl (E)-2-propylpent-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-2-propylpent-2-enoate
PubChem CID5352357
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametrimethylsilyl (E)-2-propylpent-2-enoate
SMILESCC/C=C(\CCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h8H,6-7,9H2,1-5H3/b10-8+
InChIKeyKGWGDWFLOXQJIH-CSKARUKUSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': '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 (E)-2-propylpent-2-enoate?
The IUPAC name of trimethylsilyl (E)-2-propylpent-2-enoate (CID 5352357) is trimethylsilyl (E)-2-propylpent-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-2-propylpent-2-enoate?
The canonical SMILES for trimethylsilyl (E)-2-propylpent-2-enoate is CC/C=C(\CCC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-2-propylpent-2-enoate?
The InChIKey is KGWGDWFLOXQJIH-CSKARUKUSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h8H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of trimethylsilyl (E)-2-propylpent-2-enoate?
trimethylsilyl (E)-2-propylpent-2-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-2-propylpent-2-enoate is sourced from PubChem (CID 5352357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).