lithium tert-butyl-hex-5-ynoxy-dimethylsilane

C12H23LiOSi — CID 11009447

IUPAClithium tert-butyl-hex-5-ynoxy-dimethylsilane
SMILES[C-]#CCCCCO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C12H23OSi.Li/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h8-11H2,2-6H3;/q-1;+1
InChIKeyHDKPHBOUOWFZSO-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.77
Rot. Bonds5

About lithium tert-butyl-hex-5-ynoxy-dimethylsilane

lithium tert-butyl-hex-5-ynoxy-dimethylsilane (PubChem CID 11009447) has the molecular formula C12H23LiOSi and a molecular weight of 218.34 g/mol. Its IUPAC name is lithium tert-butyl-hex-5-ynoxy-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-hex-5-ynoxy-dimethylsilane
PubChem CID11009447
Molecular FormulaC12H23LiOSi
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Namelithium tert-butyl-hex-5-ynoxy-dimethylsilane
SMILES[C-]#CCCCCO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C12H23OSi.Li/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h8-11H2,2-6H3;/q-1;+1
InChIKeyHDKPHBOUOWFZSO-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.77
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

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tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
tert-butyl-(7-iodohept-6-ynoxy)-dimethylsilane
CID 87614781
magnesium;trimethyl(oct-7-ynoxy)silane;chloride
CID 88653590
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976
potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide
CID 23696339
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-hex-5-ynoxy-dimethylsilane?
The IUPAC name of lithium tert-butyl-hex-5-ynoxy-dimethylsilane (CID 11009447) is lithium tert-butyl-hex-5-ynoxy-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-hex-5-ynoxy-dimethylsilane?
The canonical SMILES for lithium tert-butyl-hex-5-ynoxy-dimethylsilane is [C-]#CCCCCO[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-hex-5-ynoxy-dimethylsilane?
The InChIKey is HDKPHBOUOWFZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23OSi.Li/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h8-11H2,2-6H3;/q-1;+1.
What are the key properties of lithium tert-butyl-hex-5-ynoxy-dimethylsilane?
lithium tert-butyl-hex-5-ynoxy-dimethylsilane has a molecular weight of 218.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-hex-5-ynoxy-dimethylsilane is sourced from PubChem (CID 11009447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).