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

C17H33LiOSi — CID 134875537

IUPAClithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane
SMILES[C-]#CC(CCCCCCC)CO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C17H33OSi.Li/c1-8-10-11-12-13-14-16(9-2)15-18-19(6,7)17(3,4)5;/h16H,8,10-15H2,1,3-7H3;/q-1;+1
InChIKeyLCMTWDAUMGZEBY-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.58
Rot. Bonds9

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

lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane (PubChem CID 134875537) has the molecular formula C17H33LiOSi and a molecular weight of 288.48 g/mol. Its IUPAC name is lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane
PubChem CID134875537
Molecular FormulaC17H33LiOSi
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Namelithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane
SMILES[C-]#CC(CCCCCCC)CO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C17H33OSi.Li/c1-8-10-11-12-13-14-16(9-2)15-18-19(6,7)17(3,4)5;/h16H,8,10-15H2,1,3-7H3;/q-1;+1
InChIKeyLCMTWDAUMGZEBY-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-[(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
Silane, diethyl(2-methylpentyloxy)undecyloxy-
CID 91742779

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane?
The IUPAC name of lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane (CID 134875537) is lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane?
The canonical SMILES for lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane is [C-]#CC(CCCCCCC)CO[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane?
The InChIKey is LCMTWDAUMGZEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33OSi.Li/c1-8-10-11-12-13-14-16(9-2)15-18-19(6,7)17(3,4)5;/h16H,8,10-15H2,1,3-7H3;/q-1;+1.
What are the key properties of lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane?
lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane has a molecular weight of 288.48 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-(2-ethynylnonoxy)-dimethylsilane is sourced from PubChem (CID 134875537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).