(1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane

C17H35AlOSi — CID 134877637

IUPAC(1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane
SMILESCCCCC(C)(CC#C[Al](C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C15H29OSi.2CH3.Al/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;;;/h7,9-14H2,1,3-6H3;2*1H3;
InChIKeyILYYBIMIQFJJQT-UHFFFAOYSA-N
MW310.53 g/mol
LogP5.64
Rot. Bonds9

About (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane

(1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane (PubChem CID 134877637) has the molecular formula C17H35AlOSi and a molecular weight of 310.53 g/mol. Its IUPAC name is (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane.

Molecular Properties

Compound Name(1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane
PubChem CID134877637
Molecular FormulaC17H35AlOSi
Molecular Weight310.53 g/mol
Exact Mass310.23
IUPAC Name(1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane
SMILESCCCCC(C)(CC#C[Al](C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C15H29OSi.2CH3.Al/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;;;/h7,9-14H2,1,3-6H3;2*1H3;
InChIKeyILYYBIMIQFJJQT-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 55.64
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-5-methylnon-1-yn-5-yl)oxy-triethylsilane
CID 86051486
tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane
CID 11623966
Tert-butyl-[11-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethylcyclotrideca-2,9-diyn-1-yl]oxy-dimethylsilane
CID 102069974
Tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane
CID 14248070
triethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
CID 22791105
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
Triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane
CID 154121335
tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane
CID 100920324

Frequently Asked Questions

What is the IUPAC name of (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane?
The IUPAC name of (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane (CID 134877637) is (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane.
What is the SMILES notation for (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane?
The canonical SMILES for (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane is CCCCC(C)(CC#C[Al](C)C)O[Si](CC)(CC)CC.
What is the InChIKey of (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane?
The InChIKey is ILYYBIMIQFJJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29OSi.2CH3.Al/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;;;/h7,9-14H2,1,3-6H3;2*1H3;.
What are the key properties of (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane?
(1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane has a molecular weight of 310.53 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane is sourced from PubChem (CID 134877637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).