tert-butyl-(2-ethynylnonoxy)-dimethylsilane

C17H34OSi — CID 134875538

IUPACtert-butyl-(2-ethynylnonoxy)-dimethylsilane
SMILESC#CC(CCCCCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-8-10-11-12-13-14-16(9-2)15-18-19(6,7)17(3,4)5/h2,16H,8,10-15H2,1,3-7H3
InChIKeyCXUOCHQSLZEEHP-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.62
Rot. Bonds9

About tert-butyl-(2-ethynylnonoxy)-dimethylsilane

tert-butyl-(2-ethynylnonoxy)-dimethylsilane (PubChem CID 134875538) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-(2-ethynylnonoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-ethynylnonoxy)-dimethylsilane
PubChem CID134875538
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-(2-ethynylnonoxy)-dimethylsilane
SMILESC#CC(CCCCCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-8-10-11-12-13-14-16(9-2)15-18-19(6,7)17(3,4)5/h2,16H,8,10-15H2,1,3-7H3
InChIKeyCXUOCHQSLZEEHP-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.62
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91737493
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)octyloxy-
CID 91740097
Silane, diethylisohexyloxyoctyloxy-
CID 91741086
Silane, diethylisohexyloxynonyloxy-
CID 91741649
Silane, diethyl(2-methylpentyloxy)nonyloxy-
CID 91741676
Silane, diethyldecyloxyisohexyloxy-
CID 91742251
Silane, diethyldecyloxy(2-methylpentyloxy)-
CID 91742310
Silane, diethylisohexyloxyundecyloxy-
CID 91742776

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-ethynylnonoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2-ethynylnonoxy)-dimethylsilane (CID 134875538) is tert-butyl-(2-ethynylnonoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-ethynylnonoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-ethynylnonoxy)-dimethylsilane is C#CC(CCCCCCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-ethynylnonoxy)-dimethylsilane?
The InChIKey is CXUOCHQSLZEEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-8-10-11-12-13-14-16(9-2)15-18-19(6,7)17(3,4)5/h2,16H,8,10-15H2,1,3-7H3.
What are the key properties of tert-butyl-(2-ethynylnonoxy)-dimethylsilane?
tert-butyl-(2-ethynylnonoxy)-dimethylsilane has a molecular weight of 282.54 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-ethynylnonoxy)-dimethylsilane is sourced from PubChem (CID 134875538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).