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

C20H42O2Si — CID 72988685

IUPAC2-[tert-butyl(dimethyl)silyl]oxytetradecanal
SMILESCCCCCCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-19(18-21)22-23(5,6)20(2,3)4/h18-19H,7-17H2,1-6H3
InChIKeyWSNNWZSEUQBKKO-UHFFFAOYSA-N
MW342.64 g/mol
LogP6.89
Rot. Bonds14

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

2-[tert-butyl(dimethyl)silyl]oxytetradecanal (PubChem CID 72988685) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxytetradecanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxytetradecanal
PubChem CID72988685
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxytetradecanal
SMILESCCCCCCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-19(18-21)22-23(5,6)20(2,3)4/h18-19H,7-17H2,1-6H3
InChIKeyWSNNWZSEUQBKKO-UHFFFAOYSA-N
XLogP6.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 56.89
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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Related Compounds

7-((tert-Butyldimethylsilyl)oxy)heptanal
CID 10922800
(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
Octanal, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11108030
2-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 11230305
(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
4-[Tert-butyl(dimethyl)silyl]oxyoctanal
CID 102129337
2-Hydroxyoctanoic acid, 2TBDMS derivative
CID 91719363
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
10-t-Butyldimethylsiloxydecanal
CID 11426202

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxytetradecanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxytetradecanal (CID 72988685) is 2-[tert-butyl(dimethyl)silyl]oxytetradecanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxytetradecanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxytetradecanal is CCCCCCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxytetradecanal?
The InChIKey is WSNNWZSEUQBKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-19(18-21)22-23(5,6)20(2,3)4/h18-19H,7-17H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxytetradecanal?
2-[tert-butyl(dimethyl)silyl]oxytetradecanal has a molecular weight of 342.64 g/mol, XLogP of 6.89, 14 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]oxytetradecanal is sourced from PubChem (CID 72988685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).