lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane

C13H29LiOSi — CID 141263517

IUPAClithium 2,2-dimethylpropyl-hexoxy-dimethylsilane
SMILES[CH2-]CCCCCO[Si](C)(C)CC(C)(C)C.[Li+]
InChIInChI=1S/C13H29OSi.Li/c1-7-8-9-10-11-14-15(5,6)12-13(2,3)4;/h1,7-12H2,2-6H3;/q-1;+1
InChIKeyQBZFCWUPZVURBX-UHFFFAOYSA-N
MW236.40 g/mol
LogP1.65
Rot. Bonds7

About lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane

lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane (PubChem CID 141263517) has the molecular formula C13H29LiOSi and a molecular weight of 236.40 g/mol. Its IUPAC name is lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane.

Molecular Properties

Compound Namelithium 2,2-dimethylpropyl-hexoxy-dimethylsilane
PubChem CID141263517
Molecular FormulaC13H29LiOSi
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Namelithium 2,2-dimethylpropyl-hexoxy-dimethylsilane
SMILES[CH2-]CCCCCO[Si](C)(C)CC(C)(C)C.[Li+]
InChIInChI=1S/C13H29OSi.Li/c1-7-8-9-10-11-14-15(5,6)12-13(2,3)4;/h1,7-12H2,2-6H3;/q-1;+1
InChIKeyQBZFCWUPZVURBX-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 51.65
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 2,2-dimethylpropyl-hexoxy-dimethylsilane?
The IUPAC name of lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane (CID 141263517) is lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane.
What is the SMILES notation for lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane?
The canonical SMILES for lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane is [CH2-]CCCCCO[Si](C)(C)CC(C)(C)C.[Li+].
What is the InChIKey of lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane?
The InChIKey is QBZFCWUPZVURBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29OSi.Li/c1-7-8-9-10-11-14-15(5,6)12-13(2,3)4;/h1,7-12H2,2-6H3;/q-1;+1.
What are the key properties of lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane?
lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane has a molecular weight of 236.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2-dimethylpropyl-hexoxy-dimethylsilane is sourced from PubChem (CID 141263517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).