2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one

C9H16O3Si — CID 91696480

IUPAC2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one
SMILESCC1CC(O[Si](C)(C)C)=CC(=O)O1
InChIInChI=1S/C9H16O3Si/c1-7-5-8(6-9(10)11-7)12-13(2,3)4/h6-7H,5H2,1-4H3
InChIKeyDIGDXQDYAKFNNM-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.06
Rot. Bonds2

About 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one

2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one (PubChem CID 91696480) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one
PubChem CID91696480
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Name2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one
SMILESCC1CC(O[Si](C)(C)C)=CC(=O)O1
InChIInChI=1S/C9H16O3Si/c1-7-5-8(6-9(10)11-7)12-13(2,3)4/h6-7H,5H2,1-4H3
InChIKeyDIGDXQDYAKFNNM-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one?
The IUPAC name of 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one (CID 91696480) is 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one?
The canonical SMILES for 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one is CC1CC(O[Si](C)(C)C)=CC(=O)O1.
What is the InChIKey of 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one?
The InChIKey is DIGDXQDYAKFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-7-5-8(6-9(10)11-7)12-13(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one?
2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one has a molecular weight of 200.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethylsilyloxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 91696480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).