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

C11H22O3Si — CID 167739162

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1(C=O)COC1
InChIInChI=1S/C11H22O3Si/c1-10(2,3)15(4,5)14-9-11(6-12)7-13-8-11/h6H,7-9H2,1-5H3
InChIKeyKTPOZCCKRUSSHG-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.22
Rot. Bonds4

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

3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde (PubChem CID 167739162) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde
PubChem CID167739162
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1(C=O)COC1
InChIInChI=1S/C11H22O3Si/c1-10(2,3)15(4,5)14-9-11(6-12)7-13-8-11/h6H,7-9H2,1-5H3
InChIKeyKTPOZCCKRUSSHG-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.22
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]oxymethyl]oxetane-3-carbaldehyde?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde (CID 167739162) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde is CC(C)(C)[Si](C)(C)OCC1(C=O)COC1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde?
The InChIKey is KTPOZCCKRUSSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-10(2,3)15(4,5)14-9-11(6-12)7-13-8-11/h6H,7-9H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-3-carbaldehyde has a molecular weight of 230.38 g/mol, XLogP of 2.22, 4 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]oxymethyl]oxetane-3-carbaldehyde is sourced from PubChem (CID 167739162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).