5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal

C13H28O2Si — CID 14750112

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal
SMILESCC(C)(CCC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(2,3)16(6,7)15-11-13(4,5)9-8-10-14/h10H,8-9,11H2,1-7H3
InChIKeyOXIHGSYQSXJODD-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal

5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal (PubChem CID 14750112) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal
PubChem CID14750112
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal
SMILESCC(C)(CCC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(2,3)16(6,7)15-11-13(4,5)9-8-10-14/h10H,8-9,11H2,1-7H3
InChIKeyOXIHGSYQSXJODD-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
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 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal (CID 14750112) is 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal is CC(C)(CCC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal?
The InChIKey is OXIHGSYQSXJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-12(2,3)16(6,7)15-11-13(4,5)9-8-10-14/h10H,8-9,11H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal?
5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal has a molecular weight of 244.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanal is sourced from PubChem (CID 14750112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).