2-[tert-butyl(dimethyl)silyl]oxydecanal

C16H34O2Si — CID 14921120

IUPAC2-[tert-butyl(dimethyl)silyl]oxydecanal
SMILESCCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h14-15H,7-13H2,1-6H3
InChIKeyBWDZKDYBALWLCU-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.33
Rot. Bonds10

About 2-[tert-butyl(dimethyl)silyl]oxydecanal

2-[tert-butyl(dimethyl)silyl]oxydecanal (PubChem CID 14921120) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxydecanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxydecanal
PubChem CID14921120
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxydecanal
SMILESCCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h14-15H,7-13H2,1-6H3
InChIKeyBWDZKDYBALWLCU-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxydecanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxydecanal (CID 14921120) is 2-[tert-butyl(dimethyl)silyl]oxydecanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxydecanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxydecanal is CCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxydecanal?
The InChIKey is BWDZKDYBALWLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h14-15H,7-13H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxydecanal?
2-[tert-butyl(dimethyl)silyl]oxydecanal has a molecular weight of 286.53 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxydecanal is sourced from PubChem (CID 14921120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).