1,5-bis(triethylsilyloxy)pentan-3-one

C17H38O3Si2 — CID 18622805

IUPAC1,5-bis(triethylsilyloxy)pentan-3-one
SMILESCC[Si](CC)(CC)OCCC(=O)CCO[Si](CC)(CC)CC
InChIInChI=1S/C17H38O3Si2/c1-7-21(8-2,9-3)19-15-13-17(18)14-16-20-22(10-4,11-5)12-6/h7-16H2,1-6H3
InChIKeyIXQCJDJVAVQVHH-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.38
Rot. Bonds14

About 1,5-bis(triethylsilyloxy)pentan-3-one

1,5-bis(triethylsilyloxy)pentan-3-one (PubChem CID 18622805) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is 1,5-bis(triethylsilyloxy)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(triethylsilyloxy)pentan-3-one
PubChem CID18622805
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name1,5-bis(triethylsilyloxy)pentan-3-one
SMILESCC[Si](CC)(CC)OCCC(=O)CCO[Si](CC)(CC)CC
InChIInChI=1S/C17H38O3Si2/c1-7-21(8-2,9-3)19-15-13-17(18)14-16-20-22(10-4,11-5)12-6/h7-16H2,1-6H3
InChIKeyIXQCJDJVAVQVHH-UHFFFAOYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-bis(triethylsilyloxy)pentan-3-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 1,5-bis(triethylsilyloxy)pentan-3-one?
The IUPAC name of 1,5-bis(triethylsilyloxy)pentan-3-one (CID 18622805) is 1,5-bis(triethylsilyloxy)pentan-3-one.
What is the SMILES notation for 1,5-bis(triethylsilyloxy)pentan-3-one?
The canonical SMILES for 1,5-bis(triethylsilyloxy)pentan-3-one is CC[Si](CC)(CC)OCCC(=O)CCO[Si](CC)(CC)CC.
What is the InChIKey of 1,5-bis(triethylsilyloxy)pentan-3-one?
The InChIKey is IXQCJDJVAVQVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-7-21(8-2,9-3)19-15-13-17(18)14-16-20-22(10-4,11-5)12-6/h7-16H2,1-6H3.
What are the key properties of 1,5-bis(triethylsilyloxy)pentan-3-one?
1,5-bis(triethylsilyloxy)pentan-3-one has a molecular weight of 346.66 g/mol, XLogP of 5.38, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(triethylsilyloxy)pentan-3-one is sourced from PubChem (CID 18622805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).