4-[tert-butyl(dimethyl)silyl]oxypentanal

C11H24O2Si — CID 13494485

IUPAC4-[tert-butyl(dimethyl)silyl]oxypentanal
SMILESCC(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyJCHUOXAQZVKHLM-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxypentanal

4-[tert-butyl(dimethyl)silyl]oxypentanal (PubChem CID 13494485) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxypentanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxypentanal
PubChem CID13494485
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxypentanal
SMILESCC(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyJCHUOXAQZVKHLM-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.38
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 4-[tert-butyl(dimethyl)silyl]oxypentanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxypentanal (CID 13494485) is 4-[tert-butyl(dimethyl)silyl]oxypentanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxypentanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxypentanal is CC(CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxypentanal?
The InChIKey is JCHUOXAQZVKHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxypentanal?
4-[tert-butyl(dimethyl)silyl]oxypentanal has a molecular weight of 216.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxypentanal is sourced from PubChem (CID 13494485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).