6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal

C17H34O3Si — CID 25111742

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
SMILESCC(=O)CCCC(CCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-15(19)11-10-13-16(12-8-7-9-14-18)20-21(5,6)17(2,3)4/h14,16H,7-13H2,1-6H3
InChIKeyFLEXCOUERXQZCK-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.90
Rot. Bonds11

About 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal

6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal (PubChem CID 25111742) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
PubChem CID25111742
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
SMILESCC(=O)CCCC(CCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-15(19)11-10-13-16(12-8-7-9-14-18)20-21(5,6)17(2,3)4/h14,16H,7-13H2,1-6H3
InChIKeyFLEXCOUERXQZCK-UHFFFAOYSA-N
XLogP4.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal 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 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal (CID 25111742) is 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal is CC(=O)CCCC(CCCCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal?
The InChIKey is FLEXCOUERXQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-15(19)11-10-13-16(12-8-7-9-14-18)20-21(5,6)17(2,3)4/h14,16H,7-13H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal?
6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal has a molecular weight of 314.54 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal is sourced from PubChem (CID 25111742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).