2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde

C15H28O3Si — CID 134923079

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde
SMILESCOC(C=O)(O[Si](C)(C)C(C)(C)C)C1C=CCCC1
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(5,6)18-15(12-16,17-4)13-10-8-7-9-11-13/h8,10,12-13H,7,9,11H2,1-6H3
InChIKeyVLCYXMYPISBHEA-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde

2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde (PubChem CID 134923079) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde
PubChem CID134923079
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde
SMILESCOC(C=O)(O[Si](C)(C)C(C)(C)C)C1C=CCCC1
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(5,6)18-15(12-16,17-4)13-10-8-7-9-11-13/h8,10,12-13H,7,9,11H2,1-6H3
InChIKeyVLCYXMYPISBHEA-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
CID 134992611
2-[Tert-butyl(dimethyl)silyl]oxy-3-ethenyl-2-methoxy-3,7-dimethyloct-6-enal
CID 134930857
2,2-Dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde
CID 163775828

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde (CID 134923079) is 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde is COC(C=O)(O[Si](C)(C)C(C)(C)C)C1C=CCCC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde?
The InChIKey is VLCYXMYPISBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(2,3)19(5,6)18-15(12-16,17-4)13-10-8-7-9-11-13/h8,10,12-13H,7,9,11H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde?
2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde has a molecular weight of 284.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde is sourced from PubChem (CID 134923079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).