tert-butyl(oxo)silane;octylalumane

C12H29AlOSi — CID 175223496

IUPACtert-butyl(oxo)silane;octylalumane
SMILESCC(C)(C)[SiH]=O.CCCCCCCC[AlH2]
InChIInChI=1S/C8H17.C4H10OSi.Al.2H/c1-3-5-7-8-6-4-2;1-4(2,3)6-5;;;/h1,3-8H2,2H3;6H,1-3H3;;;
InChIKeyYWPBURJJPLXNRL-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.39
Rot. Bonds6

About tert-butyl(oxo)silane;octylalumane

tert-butyl(oxo)silane;octylalumane (PubChem CID 175223496) has the molecular formula C12H29AlOSi and a molecular weight of 244.43 g/mol. Its IUPAC name is tert-butyl(oxo)silane;octylalumane.

Molecular Properties

Compound Nametert-butyl(oxo)silane;octylalumane
PubChem CID175223496
Molecular FormulaC12H29AlOSi
Molecular Weight244.43 g/mol
Exact Mass244.18
IUPAC Nametert-butyl(oxo)silane;octylalumane
SMILESCC(C)(C)[SiH]=O.CCCCCCCC[AlH2]
InChIInChI=1S/C8H17.C4H10OSi.Al.2H/c1-3-5-7-8-6-4-2;1-4(2,3)6-5;;;/h1,3-8H2,2H3;6H,1-3H3;;;
InChIKeyYWPBURJJPLXNRL-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174323445
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2,2-dimethylpropane;heptane
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dioctylalumane;hexylalumane
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sodium;hydride;tridecane
CID 172995973
sodium;octakis(decane);hydride
CID 173398930
calcium;hydride;octane
CID 173403164
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13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethylnonadecane;oxosilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl(oxo)silane;octylalumane?
The IUPAC name of tert-butyl(oxo)silane;octylalumane (CID 175223496) is tert-butyl(oxo)silane;octylalumane.
What is the SMILES notation for tert-butyl(oxo)silane;octylalumane?
The canonical SMILES for tert-butyl(oxo)silane;octylalumane is CC(C)(C)[SiH]=O.CCCCCCCC[AlH2].
What is the InChIKey of tert-butyl(oxo)silane;octylalumane?
The InChIKey is YWPBURJJPLXNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C4H10OSi.Al.2H/c1-3-5-7-8-6-4-2;1-4(2,3)6-5;;;/h1,3-8H2,2H3;6H,1-3H3;;;.
What are the key properties of tert-butyl(oxo)silane;octylalumane?
tert-butyl(oxo)silane;octylalumane has a molecular weight of 244.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(oxo)silane;octylalumane is sourced from PubChem (CID 175223496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).