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

C14H30O2Si — CID 102129337

IUPAC4-[tert-butyl(dimethyl)silyl]oxyoctanal
SMILESCCCCC(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-7-8-10-13(11-9-12-15)16-17(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyDRJWYFDXWRUWKY-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds8

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

4-[tert-butyl(dimethyl)silyl]oxyoctanal (PubChem CID 102129337) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyoctanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyoctanal
PubChem CID102129337
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyoctanal
SMILESCCCCC(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-7-8-10-13(11-9-12-15)16-17(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyDRJWYFDXWRUWKY-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.55
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]oxyoctanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoctanal (CID 102129337) is 4-[tert-butyl(dimethyl)silyl]oxyoctanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyoctanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyoctanal is CCCCC(CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyoctanal?
The InChIKey is DRJWYFDXWRUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-7-8-10-13(11-9-12-15)16-17(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyoctanal?
4-[tert-butyl(dimethyl)silyl]oxyoctanal has a molecular weight of 258.48 g/mol, XLogP of 4.55, 8 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]oxyoctanal is sourced from PubChem (CID 102129337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).