tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane

C18H34OSi2 — CID 11623966

IUPACtert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane
SMILESC#CCC[C@@](C)(CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi2/c1-11-12-14-18(5,15-13-16-20(6,7)8)19-21(9,10)17(2,3)4/h1H,12,14-15H2,2-10H3/t18-/m0/s1
InChIKeyJKFSUIISIODWID-SFHVURJKSA-N
MW322.64 g/mol
LogP5.45
Rot. Bonds5

About tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane

tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane (PubChem CID 11623966) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane
PubChem CID11623966
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Nametert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane
SMILESC#CCC[C@@](C)(CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi2/c1-11-12-14-18(5,15-13-16-20(6,7)8)19-21(9,10)17(2,3)4/h1H,12,14-15H2,2-10H3/t18-/m0/s1
InChIKeyJKFSUIISIODWID-SFHVURJKSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.45
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
3,3'-Dimethyl-3,3'-bis-(tert-butyldimethylsilyloxy)-octa-1,1'-diyne
CID 11825400
rac.-1,10-Dimethyl-1,10-bis-(tert.-butyldimethylsilyloxy)-cyclododeca-2,8-diyne
CID 139055165
Tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
CID 73119055
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
Trimethyl(4-methylhept-1-yn-4-yloxy)silane
CID 20355605
4-Triethylsilyloxy-4-methyl-1-heptyne
CID 20442050
4-(2-Trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
CID 20565068
triethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
CID 22791105
Triethyl(4-ethyloct-1-yn-4-yloxy)silane
CID 54243911

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane (CID 11623966) is tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane is C#CCC[C@@](C)(CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane?
The InChIKey is JKFSUIISIODWID-SFHVURJKSA-N. The full InChI is InChI=1S/C18H34OSi2/c1-11-12-14-18(5,15-13-16-20(6,7)8)19-21(9,10)17(2,3)4/h1H,12,14-15H2,2-10H3/t18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane has a molecular weight of 322.64 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane is sourced from PubChem (CID 11623966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).