6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal

C12H24O2Si — CID 54332814

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
SMILESCC(C)(C)[Si](C)(C)OCC=CCCC=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9-10H,6,8,11H2,1-5H3
InChIKeySZNJBLOWIDASCR-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds6

About 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal

6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal (PubChem CID 54332814) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
PubChem CID54332814
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
SMILESCC(C)(C)[Si](C)(C)OCC=CCCC=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9-10H,6,8,11H2,1-5H3
InChIKeySZNJBLOWIDASCR-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal 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]oxyhex-4-enal?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal (CID 54332814) is 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal is CC(C)(C)[Si](C)(C)OCC=CCCC=O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The InChIKey is SZNJBLOWIDASCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9-10H,6,8,11H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal has a molecular weight of 228.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal is sourced from PubChem (CID 54332814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).