3-[butyl(dimethyl)silyl]oxypyran-2-one

C11H18O3Si — CID 152550767

IUPAC3-[butyl(dimethyl)silyl]oxypyran-2-one
SMILESCCCC[Si](C)(C)Oc1cccoc1=O
InChIInChI=1S/C11H18O3Si/c1-4-5-9-15(2,3)14-10-7-6-8-13-11(10)12/h6-8H,4-5,9H2,1-3H3
InChIKeyYNLBLTCEXMNZPU-UHFFFAOYSA-N
MW226.35 g/mol
LogP3.02
Rot. Bonds5

About 3-[butyl(dimethyl)silyl]oxypyran-2-one

3-[butyl(dimethyl)silyl]oxypyran-2-one (PubChem CID 152550767) has the molecular formula C11H18O3Si and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-[butyl(dimethyl)silyl]oxypyran-2-one.

Molecular Properties

Compound Name3-[butyl(dimethyl)silyl]oxypyran-2-one
PubChem CID152550767
Molecular FormulaC11H18O3Si
Molecular Weight226.35 g/mol
Exact Mass226.10
IUPAC Name3-[butyl(dimethyl)silyl]oxypyran-2-one
SMILESCCCC[Si](C)(C)Oc1cccoc1=O
InChIInChI=1S/C11H18O3Si/c1-4-5-9-15(2,3)14-10-7-6-8-13-11(10)12/h6-8H,4-5,9H2,1-3H3
InChIKeyYNLBLTCEXMNZPU-UHFFFAOYSA-N
XLogP3.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxypyran-2-one
CID 85641539
4-Trimethylsilyloxypyran-2-one
CID 13679169
methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
CID 71567020
methyl (2Z,4E)-5-methoxy-3-trimethylsilyloxypenta-2,4-dienoate
CID 134900795
(5E)-3-methoxy-5-(2-trimethylsilyloxyprop-2-enylidene)furan-2-one
CID 135037188
ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
CID 135041549
CID 58775858
CID 58775858
methyl (2Z)-2-methoxy-4-trimethylsilyloxypenta-2,4-dienoate
CID 59041510
methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate
CID 59884443
Ethyl 2-[(trimethylsilyl)oxy]but-2-enoate
CID 71348579
Methyl 2-methoxy-4-trimethylsilyloxypenta-2,4-dienoate
CID 72498158
CID 145802557
CID 145802557

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(dimethyl)silyl]oxypyran-2-one?
The IUPAC name of 3-[butyl(dimethyl)silyl]oxypyran-2-one (CID 152550767) is 3-[butyl(dimethyl)silyl]oxypyran-2-one.
What is the SMILES notation for 3-[butyl(dimethyl)silyl]oxypyran-2-one?
The canonical SMILES for 3-[butyl(dimethyl)silyl]oxypyran-2-one is CCCC[Si](C)(C)Oc1cccoc1=O.
What is the InChIKey of 3-[butyl(dimethyl)silyl]oxypyran-2-one?
The InChIKey is YNLBLTCEXMNZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3Si/c1-4-5-9-15(2,3)14-10-7-6-8-13-11(10)12/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 3-[butyl(dimethyl)silyl]oxypyran-2-one?
3-[butyl(dimethyl)silyl]oxypyran-2-one has a molecular weight of 226.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethyl)silyl]oxypyran-2-one is sourced from PubChem (CID 152550767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).