[(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane

C13H26OSi — CID 129405466

IUPAC[(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane
SMILESC#C[C@@H](O[Si](C)(C)C)C(C)(C)CCCC
InChIInChI=1S/C13H26OSi/c1-8-10-11-13(3,4)12(9-2)14-15(5,6)7/h2,12H,8,10-11H2,1,3-7H3/t12-/m1/s1
InChIKeyBJLUIBXNFUEQNR-GFCCVEGCSA-N
MW226.44 g/mol
LogP4.06
Rot. Bonds6

About [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane

[(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane (PubChem CID 129405466) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane
PubChem CID129405466
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name[(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane
SMILESC#C[C@@H](O[Si](C)(C)C)C(C)(C)CCCC
InChIInChI=1S/C13H26OSi/c1-8-10-11-13(3,4)12(9-2)14-15(5,6)7/h2,12H,8,10-11H2,1,3-7H3/t12-/m1/s1
InChIKeyBJLUIBXNFUEQNR-GFCCVEGCSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.06
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

tert-Butyl(dimethyl)[(1-pentylprop-2-ynyl)oxy]silane
CID 11791325
(R)-3-tert-butyldimethylsilanyloxy-1-octyne
CID 10538048
(S)-tert-Butyldimethyl(oct-1-yn-3-yloxy)silane
CID 10752577
{[1-(1-Butylcyclobutyl)prop-2-yn-1-yl]oxy}(trimethyl)silane
CID 12786176
Tert-butyl-(1-cyclopentylprop-2-ynoxy)-dimethylsilane
CID 14314323
tert-Butyldimethyl-[1-(1-propylcyclobutyl)but-3-ynyloxy]silane
CID 15475299
4-Trimethylsilyloxycyclohexylacetylene
CID 18952792
Tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane
CID 19042215
Tert-butyl-(6-ethyloct-1-yn-3-yloxy)-dimethylsilane
CID 20259595
5,5-Dimethylnon-1-yn-4-yloxy(trimethyl)silane
CID 20288770
5,5-Dimethyloct-1-yn-4-yloxy(trimethyl)silane
CID 20288807
1-(1-But-2-ynylcyclobutyl)prop-2-ynoxy-trimethylsilane
CID 20383883

Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane?
The IUPAC name of [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane (CID 129405466) is [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane is C#C[C@@H](O[Si](C)(C)C)C(C)(C)CCCC.
What is the InChIKey of [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane?
The InChIKey is BJLUIBXNFUEQNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26OSi/c1-8-10-11-13(3,4)12(9-2)14-15(5,6)7/h2,12H,8,10-11H2,1,3-7H3/t12-/m1/s1.
What are the key properties of [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane?
[(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 129405466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).