(2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal

C14H26O2Si — CID 90921045

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
SMILESCC#CCCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-9-10-11-13(12-15)16-17(5,6)14(2,3)4/h12-13H,9-11H2,1-6H3/t13-/m0/s1
InChIKeyCCCRVIHFZNILBJ-ZDUSSCGKSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds6

About (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal

(2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal (PubChem CID 90921045) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
PubChem CID90921045
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
SMILESCC#CCCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-9-10-11-13(12-15)16-17(5,6)14(2,3)4/h12-13H,9-11H2,1-6H3/t13-/m0/s1
InChIKeyCCCRVIHFZNILBJ-ZDUSSCGKSA-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

2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
2-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 11230305
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[Ditert-butyl(oct-1-ynyl)silyl]oxyhexanal
CID 10808929
5-[Tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 135018007
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal
CID 102368688
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-ynal
CID 58373579
2-[Tert-butyl(dimethyl)silyl]oxyhex-4-ynal
CID 58461676
(2R)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 60090939
(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one
CID 90886218
Butyldimethylsilyloxy acetaldehyde
CID 131739304
2-[Butyl(ditert-butyl)silyl]oxyhexanal
CID 10495503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal (CID 90921045) is (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal is CC#CCCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal?
The InChIKey is CCCRVIHFZNILBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-8-9-10-11-13(12-15)16-17(5,6)14(2,3)4/h12-13H,9-11H2,1-6H3/t13-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal?
(2S)-2-[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 (2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal is sourced from PubChem (CID 90921045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).