4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde

C13H26O4Si — CID 85295732

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde
SMILESCOC1CC(O[Si](C)(C)C(C)(C)C)CC(C=O)O1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-10-7-11(9-14)16-12(8-10)15-4/h9-12H,7-8H2,1-6H3
InChIKeyARSCISCJSJZLEC-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.73
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde

4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde (PubChem CID 85295732) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde
PubChem CID85295732
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde
SMILESCOC1CC(O[Si](C)(C)C(C)(C)C)CC(C=O)O1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-10-7-11(9-14)16-12(8-10)15-4/h9-12H,7-8H2,1-6H3
InChIKeyARSCISCJSJZLEC-UHFFFAOYSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde (CID 85295732) is 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde is COC1CC(O[Si](C)(C)C(C)(C)C)CC(C=O)O1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde?
The InChIKey is ARSCISCJSJZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-10-7-11(9-14)16-12(8-10)15-4/h9-12H,7-8H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde?
4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde has a molecular weight of 274.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carbaldehyde is sourced from PubChem (CID 85295732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).