3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde

C10H20O3Si — CID 167733186

IUPAC3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1(C=O)COC1
InChIInChI=1S/C10H20O3Si/c1-9(2,3)14(4,5)13-10(6-11)7-12-8-10/h6H,7-8H2,1-5H3
InChIKeyYUTBKWRZLMCAKW-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.98
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde

3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde (PubChem CID 167733186) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde
PubChem CID167733186
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1(C=O)COC1
InChIInChI=1S/C10H20O3Si/c1-9(2,3)14(4,5)13-10(6-11)7-12-8-10/h6H,7-8H2,1-5H3
InChIKeyYUTBKWRZLMCAKW-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.98
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde (CID 167733186) is 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde is CC(C)(C)[Si](C)(C)OC1(C=O)COC1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde?
The InChIKey is YUTBKWRZLMCAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-9(2,3)14(4,5)13-10(6-11)7-12-8-10/h6H,7-8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde?
3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde has a molecular weight of 216.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxyoxetane-3-carbaldehyde is sourced from PubChem (CID 167733186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).