lithium tert-butyl-hexoxy-dimethylsilane

C12H27LiOSi — CID 15179039

IUPAClithium tert-butyl-hexoxy-dimethylsilane
SMILES[CH2-]CCCCCO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C12H27OSi.Li/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h1,7-11H2,2-6H3;/q-1;+1
InChIKeyFCMLGGCKXVXHGS-UHFFFAOYSA-N
MW222.37 g/mol
LogP1.41
Rot. Bonds6

About lithium tert-butyl-hexoxy-dimethylsilane

lithium tert-butyl-hexoxy-dimethylsilane (PubChem CID 15179039) has the molecular formula C12H27LiOSi and a molecular weight of 222.37 g/mol. Its IUPAC name is lithium tert-butyl-hexoxy-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-hexoxy-dimethylsilane
PubChem CID15179039
Molecular FormulaC12H27LiOSi
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Namelithium tert-butyl-hexoxy-dimethylsilane
SMILES[CH2-]CCCCCO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C12H27OSi.Li/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h1,7-11H2,2-6H3;/q-1;+1
InChIKeyFCMLGGCKXVXHGS-UHFFFAOYSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 51.41
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'}

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Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-hexoxy-dimethylsilane?
The IUPAC name of lithium tert-butyl-hexoxy-dimethylsilane (CID 15179039) is lithium tert-butyl-hexoxy-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-hexoxy-dimethylsilane?
The canonical SMILES for lithium tert-butyl-hexoxy-dimethylsilane is [CH2-]CCCCCO[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-hexoxy-dimethylsilane?
The InChIKey is FCMLGGCKXVXHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27OSi.Li/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h1,7-11H2,2-6H3;/q-1;+1.
What are the key properties of lithium tert-butyl-hexoxy-dimethylsilane?
lithium tert-butyl-hexoxy-dimethylsilane has a molecular weight of 222.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-hexoxy-dimethylsilane is sourced from PubChem (CID 15179039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).