3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde

C10H20O2Si — CID 175084357

IUPAC3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)C1COC1C=O
InChIInChI=1S/C10H20O2Si/c1-10(2,3)13(4,5)9-7-12-8(9)6-11/h6,8-9H,7H2,1-5H3
InChIKeyCJEDYQWMVQDGFC-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.46
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde

3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde (PubChem CID 175084357) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde
PubChem CID175084357
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)C1COC1C=O
InChIInChI=1S/C10H20O2Si/c1-10(2,3)13(4,5)9-7-12-8(9)6-11/h6,8-9H,7H2,1-5H3
InChIKeyCJEDYQWMVQDGFC-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]oxetane-2-carbaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde (CID 175084357) is 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde is CC(C)(C)[Si](C)(C)C1COC1C=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde?
The InChIKey is CJEDYQWMVQDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-10(2,3)13(4,5)9-7-12-8(9)6-11/h6,8-9H,7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde?
3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde has a molecular weight of 200.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde is sourced from PubChem (CID 175084357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).