6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal

C14H28O2Si — CID 11499849

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
SMILESC=CC(CC=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-13(10-11-15)9-8-12-16-17(5,6)14(2,3)4/h7,11,13H,1,8-10,12H2,2-6H3
InChIKeyANYZCSRAKCGBNZ-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal

6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal (PubChem CID 11499849) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
PubChem CID11499849
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
SMILESC=CC(CC=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-13(10-11-15)9-8-12-16-17(5,6)14(2,3)4/h7,11,13H,1,8-10,12H2,2-6H3
InChIKeyANYZCSRAKCGBNZ-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.18
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]oxy-3-ethenylhexanal 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-3-ethenylhexanal?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal (CID 11499849) is 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal is C=CC(CC=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal?
The InChIKey is ANYZCSRAKCGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-13(10-11-15)9-8-12-16-17(5,6)14(2,3)4/h7,11,13H,1,8-10,12H2,2-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal?
6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal has a molecular weight of 256.46 g/mol, XLogP of 4.18, 8 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]oxy-3-ethenylhexanal is sourced from PubChem (CID 11499849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).