3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde

C11H22O2Si — CID 87243867

IUPAC3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC(C=O)C1
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-6-9(7-10)8-12/h8-10H,6-7H2,1-5H3
InChIKeyCEDGVCLIZGXGLW-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.99
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde

3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde (PubChem CID 87243867) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde
PubChem CID87243867
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC(C=O)C1
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-6-9(7-10)8-12/h8-10H,6-7H2,1-5H3
InChIKeyCEDGVCLIZGXGLW-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.99
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]oxycyclobutane-1-carbaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde (CID 87243867) is 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC1CC(C=O)C1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde?
The InChIKey is CEDGVCLIZGXGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-6-9(7-10)8-12/h8-10H,6-7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde?
3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carbaldehyde has a molecular weight of 214.38 g/mol, XLogP of 2.99, 3 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]oxycyclobutane-1-carbaldehyde is sourced from PubChem (CID 87243867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).