5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde

C13H24O3Si — CID 53418316

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=O)C(C=O)C1
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-11-6-7-12(15)10(8-11)9-14/h9-11H,6-8H2,1-5H3
InChIKeyGAXCCXCHMZNYFW-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.94
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde

5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde (PubChem CID 53418316) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde
PubChem CID53418316
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=O)C(C=O)C1
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-11-6-7-12(15)10(8-11)9-14/h9-11H,6-8H2,1-5H3
InChIKeyGAXCCXCHMZNYFW-UHFFFAOYSA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde (CID 53418316) is 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC1CCC(=O)C(C=O)C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde?
The InChIKey is GAXCCXCHMZNYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-11-6-7-12(15)10(8-11)9-14/h9-11H,6-8H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde?
5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde has a molecular weight of 256.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexane-1-carbaldehyde is sourced from PubChem (CID 53418316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).