2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde

C11H22O3Si — CID 155977813

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1(CC=O)COC1
InChIInChI=1S/C11H22O3Si/c1-10(2,3)15(4,5)14-11(6-7-12)8-13-9-11/h7H,6,8-9H2,1-5H3
InChIKeyCMNSPCLDOXXJDV-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.37
Rot. Bonds4

About 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde

2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde (PubChem CID 155977813) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde
PubChem CID155977813
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1(CC=O)COC1
InChIInChI=1S/C11H22O3Si/c1-10(2,3)15(4,5)14-11(6-7-12)8-13-9-11/h7H,6,8-9H2,1-5H3
InChIKeyCMNSPCLDOXXJDV-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde (CID 155977813) is 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OC1(CC=O)COC1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde?
The InChIKey is CMNSPCLDOXXJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-10(2,3)15(4,5)14-11(6-7-12)8-13-9-11/h7H,6,8-9H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde?
2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde has a molecular weight of 230.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]acetaldehyde is sourced from PubChem (CID 155977813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).