2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one

C12H24O3Si — CID 131722840

IUPAC2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one
SMILESCC(C)(C)[SiH2]OC(C)(C)C1CC(=O)CCO1
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16-15-12(4,5)10-8-9(13)6-7-14-10/h10H,6-8,16H2,1-5H3
InChIKeyRMWKBOCYCIHIQZ-UHFFFAOYSA-N
MW244.41 g/mol
LogP1.83
Rot. Bonds3

About 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one

2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one (PubChem CID 131722840) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one.

Molecular Properties

Compound Name2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one
PubChem CID131722840
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one
SMILESCC(C)(C)[SiH2]OC(C)(C)C1CC(=O)CCO1
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16-15-12(4,5)10-8-9(13)6-7-14-10/h10H,6-8,16H2,1-5H3
InChIKeyRMWKBOCYCIHIQZ-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one?
The IUPAC name of 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one (CID 131722840) is 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one.
What is the SMILES notation for 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one?
The canonical SMILES for 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one is CC(C)(C)[SiH2]OC(C)(C)C1CC(=O)CCO1.
What is the InChIKey of 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one?
The InChIKey is RMWKBOCYCIHIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-11(2,3)16-15-12(4,5)10-8-9(13)6-7-14-10/h10H,6-8,16H2,1-5H3.
What are the key properties of 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one?
2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one has a molecular weight of 244.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsilyloxypropan-2-yl)oxan-4-one is sourced from PubChem (CID 131722840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).