(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal

C16H34O2Si — CID 15308747

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
SMILESCCCCCCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-15(13-14-17)18-19(5,6)16(2,3)4/h14-15H,7-13H2,1-6H3/t15-/m0/s1
InChIKeyDUCSQJJNDDOCFL-HNNXBMFYSA-N
MW286.53 g/mol
LogP5.33
Rot. Bonds10

About (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal

(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal (PubChem CID 15308747) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
PubChem CID15308747
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
SMILESCCCCCCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-15(13-14-17)18-19(5,6)16(2,3)4/h14-15H,7-13H2,1-6H3/t15-/m0/s1
InChIKeyDUCSQJJNDDOCFL-HNNXBMFYSA-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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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
(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
4-[Tert-butyl(dimethyl)silyl]oxyoctanal
CID 102129337
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
1-[Tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 10682669
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
10-t-Butyldimethylsiloxydecanal
CID 11426202
(2R)-2-[tert-butyl(dimethyl)silyl]oxytetradecanal
CID 11772259

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal (CID 15308747) is (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal is CCCCCCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal?
The InChIKey is DUCSQJJNDDOCFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-15(13-14-17)18-19(5,6)16(2,3)4/h14-15H,7-13H2,1-6H3/t15-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal?
(3S)-3-[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 (3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal is sourced from PubChem (CID 15308747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).