3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione

C11H20O3Si — CID 58918127

IUPAC3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione
SMILESCC(C[Si](C)(C)C)C1C(=O)OC(=O)C1C
InChIInChI=1S/C11H20O3Si/c1-7(6-15(3,4)5)9-8(2)10(12)14-11(9)13/h7-9H,6H2,1-5H3
InChIKeyLDBQOPCHTKDQDE-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.30
Rot. Bonds3

About 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione

3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione (PubChem CID 58918127) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione
PubChem CID58918127
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione
SMILESCC(C[Si](C)(C)C)C1C(=O)OC(=O)C1C
InChIInChI=1S/C11H20O3Si/c1-7(6-15(3,4)5)9-8(2)10(12)14-11(9)13/h7-9H,6H2,1-5H3
InChIKeyLDBQOPCHTKDQDE-UHFFFAOYSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-pentan-3-yloxolane-2,5-dione
CID 176631085
3,4-di(butan-2-yl)oxolane-2,5-dione
CID 126576326
3-hexan-3-yl-4-methyloxolane-2,5-dione
CID 90441665
3-[2,3-dimethyl-4-(4-methyl-2,5-dioxooxolan-3-yl)butyl]-4-methyloxolane-2,5-dione
CID 145217294
3-(1,1-diethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716736
3-methyl-4-undecan-3-yloxolane-2,5-dione
CID 58805580
3-methyl-4-tridecan-3-yloxolane-2,5-dione
CID 58805601
3-methyl-4-(2-methylpentadecyl)oxolane-2,5-dione
CID 118520738
3-methyl-4-(2-methyldodecyl)oxolane-2,5-dione
CID 118243848
dimethyl 2,3-dimethylbutanedioate;3,4-dimethyloxolane-2,5-dione
CID 158182457
3-(2,3-dimethylbutyl)-4-propan-2-yloxolane-2,5-dione
CID 147611414
3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione
CID 59704222

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione?
The IUPAC name of 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione (CID 58918127) is 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione?
The canonical SMILES for 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione is CC(C[Si](C)(C)C)C1C(=O)OC(=O)C1C.
What is the InChIKey of 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione?
The InChIKey is LDBQOPCHTKDQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-7(6-15(3,4)5)9-8(2)10(12)14-11(9)13/h7-9H,6H2,1-5H3.
What are the key properties of 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione?
3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione has a molecular weight of 228.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione is sourced from PubChem (CID 58918127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).