(1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane

C18H37AlOSi — CID 86051486

IUPAC(1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane
SMILESCCCCC(C)(CCC#C[Al](C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H31OSi.2CH3.Al/c1-7-12-14-16(6,15-13-8-2)17-18(9-3,10-4)11-5;;;/h7,9-15H2,1,3-6H3;2*1H3;
InChIKeyQAJJVDBTOKRTFG-UHFFFAOYSA-N
MW324.56 g/mol
LogP6.03
Rot. Bonds10

About (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane

(1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane (PubChem CID 86051486) has the molecular formula C18H37AlOSi and a molecular weight of 324.56 g/mol. Its IUPAC name is (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane.

Molecular Properties

Compound Name(1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane
PubChem CID86051486
Molecular FormulaC18H37AlOSi
Molecular Weight324.56 g/mol
Exact Mass324.24
IUPAC Name(1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane
SMILESCCCCC(C)(CCC#C[Al](C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H31OSi.2CH3.Al/c1-7-12-14-16(6,15-13-8-2)17-18(9-3,10-4)11-5;;;/h7,9-15H2,1,3-6H3;2*1H3;
InChIKeyQAJJVDBTOKRTFG-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triethyl[(4-methyloct-1-YN-4-YL)oxy]silane
CID 13260212
(1-Dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane
CID 134877637
Tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-2,10-diyn-1-yl]oxy-dimethylsilane
CID 102069975
Tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane
CID 14248070
(+/-) 4-Trimethylsilyloxy-4-n-propyl-1-octyne
CID 20553968
triethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
CID 22791105
Tert-butyl-(5-butylnonan-5-yloxy)-dimethylsilane
CID 53716179
Triethyl(4-ethyloct-1-yn-4-yloxy)silane
CID 54243911
4-Trimethylsilylethynyl-1-octyn-4-ol trimethylsilyl ether
CID 57233077
Tert-butyl-(2-methylhept-6-yn-2-yloxy)-di(propan-2-yl)silane
CID 59593923
Tert-butyl-(3-ethylhept-1-yn-3-yloxy)-dimethylsilane
CID 85825713
Butyl-dimethyl-(5-methylnonan-5-yloxy)silane
CID 155771715

Frequently Asked Questions

What is the IUPAC name of (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane?
The IUPAC name of (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane (CID 86051486) is (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane.
What is the SMILES notation for (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane?
The canonical SMILES for (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane is CCCCC(C)(CCC#C[Al](C)C)O[Si](CC)(CC)CC.
What is the InChIKey of (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane?
The InChIKey is QAJJVDBTOKRTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31OSi.2CH3.Al/c1-7-12-14-16(6,15-13-8-2)17-18(9-3,10-4)11-5;;;/h7,9-15H2,1,3-6H3;2*1H3;.
What are the key properties of (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane?
(1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane has a molecular weight of 324.56 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane is sourced from PubChem (CID 86051486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).