4-methoxy-6-(trimethylsilylmethyl)pyran-2-one

C10H16O3Si — CID 101008331

IUPAC4-methoxy-6-(trimethylsilylmethyl)pyran-2-one
SMILESCOc1cc(C[Si](C)(C)C)oc(=O)c1
InChIInChI=1S/C10H16O3Si/c1-12-8-5-9(7-14(2,3)4)13-10(11)6-8/h5-6H,7H2,1-4H3
InChIKeyDXQOLKHICOPMJD-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.07
Rot. Bonds3

About 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one

4-methoxy-6-(trimethylsilylmethyl)pyran-2-one (PubChem CID 101008331) has the molecular formula C10H16O3Si and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-(trimethylsilylmethyl)pyran-2-one
PubChem CID101008331
Molecular FormulaC10H16O3Si
Molecular Weight212.32 g/mol
Exact Mass212.09
IUPAC Name4-methoxy-6-(trimethylsilylmethyl)pyran-2-one
SMILESCOc1cc(C[Si](C)(C)C)oc(=O)c1
InChIInChI=1S/C10H16O3Si/c1-12-8-5-9(7-14(2,3)4)13-10(11)6-8/h5-6H,7H2,1-4H3
InChIKeyDXQOLKHICOPMJD-UHFFFAOYSA-N
XLogP2.07
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.07
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-(Trimethylsilyloxy)-2-butenoic Acid Methyl Ester
CID 2733746
Methyl 3-((trimethylsilyl)oxy)-2-butenoate
CID 5702587
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
6-[(1E)-buta-1,3-dienyl]-4-methoxy-pyran-2-one
CID 6476408
(5Z)-5-[(E)-3-trimethylsilylprop-2-enylidene]furan-2-one
CID 11194895
4-methoxy-6-[(E)-prop-1-enyl]-pyran-2-one
CID 12206036
6-Methyl-4-trimethylsilyloxypyran-2-one
CID 13679171
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
4-Hydroxy-6-trimethylsilylpyran-2-one
CID 102291772
methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate
CID 102509762
Ethyl (2Z)-3-[(trimethylsilyl)oxy]but-2-enoate
CID 11084906
ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate
CID 11572750

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one?
The IUPAC name of 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one (CID 101008331) is 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one.
What is the SMILES notation for 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one?
The canonical SMILES for 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one is COc1cc(C[Si](C)(C)C)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one?
The InChIKey is DXQOLKHICOPMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3Si/c1-12-8-5-9(7-14(2,3)4)13-10(11)6-8/h5-6H,7H2,1-4H3.
What are the key properties of 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one?
4-methoxy-6-(trimethylsilylmethyl)pyran-2-one has a molecular weight of 212.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(trimethylsilylmethyl)pyran-2-one is sourced from PubChem (CID 101008331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).