5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal

C14H26O2Si — CID 135018007

IUPAC5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
SMILESCC#CC(CCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h12-13H,8-9,11H2,1-6H3
InChIKeyHFNDOBKVVHCZLW-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal

5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal (PubChem CID 135018007) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
PubChem CID135018007
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
SMILESCC#CC(CCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h12-13H,8-9,11H2,1-6H3
InChIKeyHFNDOBKVVHCZLW-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 11831251
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 13741476
5-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 85369670
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 134872580
(5S)-5-triethylsilyloxyheptanal
CID 138981464
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanal
CID 162397802
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal
CID 102368688
5-[Tert-butyl(dimethyl)silyl]oxyhexanal
CID 11218485
(2R)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 60090939
(2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 90921045
Heptanal, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (5S)-
CID 11021146
2-[Tert-butyl(dimethyl)silyl]oxyhexanedial
CID 11207293

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal (CID 135018007) is 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal is CC#CC(CCCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal?
The InChIKey is HFNDOBKVVHCZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h12-13H,8-9,11H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal?
5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal has a molecular weight of 254.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal is sourced from PubChem (CID 135018007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).