2-pent-4-enyl-3-trimethylsilyloxypyran-4-one

C13H20O3Si — CID 71378094

IUPAC2-pent-4-enyl-3-trimethylsilyloxypyran-4-one
SMILESC=CCCCc1occc(=O)c1O[Si](C)(C)C
InChIInChI=1S/C13H20O3Si/c1-5-6-7-8-12-13(16-17(2,3)4)11(14)9-10-15-12/h5,9-10H,1,6-8H2,2-4H3
InChIKeyDJIGACGISKKWNC-UHFFFAOYSA-N
MW252.39 g/mol
LogP3.36
Rot. Bonds6

About 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one

2-pent-4-enyl-3-trimethylsilyloxypyran-4-one (PubChem CID 71378094) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one.

Molecular Properties

Compound Name2-pent-4-enyl-3-trimethylsilyloxypyran-4-one
PubChem CID71378094
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Name2-pent-4-enyl-3-trimethylsilyloxypyran-4-one
SMILESC=CCCCc1occc(=O)c1O[Si](C)(C)C
InChIInChI=1S/C13H20O3Si/c1-5-6-7-8-12-13(16-17(2,3)4)11(14)9-10-15-12/h5,9-10H,1,6-8H2,2-4H3
InChIKeyDJIGACGISKKWNC-UHFFFAOYSA-N
XLogP3.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pent-4-enyl-3-trimethylsilyloxypyran-4-one?
The IUPAC name of 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one (CID 71378094) is 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one.
What is the SMILES notation for 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one?
The canonical SMILES for 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one is C=CCCCc1occc(=O)c1O[Si](C)(C)C.
What is the InChIKey of 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one?
The InChIKey is DJIGACGISKKWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-5-6-7-8-12-13(16-17(2,3)4)11(14)9-10-15-12/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one?
2-pent-4-enyl-3-trimethylsilyloxypyran-4-one has a molecular weight of 252.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyl-3-trimethylsilyloxypyran-4-one is sourced from PubChem (CID 71378094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).