lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane

C17H29LiOSi — CID 11335111

IUPAClithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane
SMILESCC(C)(C)c1c[c-]cc(C(C)(C)C)c1O[Si](C)(C)C.[Li+]
InChIInChI=1S/C17H29OSi.Li/c1-16(2,3)13-11-10-12-14(17(4,5)6)15(13)18-19(7,8)9;/h11-12H,1-9H3;/q-1;+1
InChIKeyABHDOPHFIKQJRC-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.30
Rot. Bonds2

About lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane

lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane (PubChem CID 11335111) has the molecular formula C17H29LiOSi and a molecular weight of 284.44 g/mol. Its IUPAC name is lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Namelithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane
PubChem CID11335111
Molecular FormulaC17H29LiOSi
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Namelithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane
SMILESCC(C)(C)c1c[c-]cc(C(C)(C)C)c1O[Si](C)(C)C.[Li+]
InChIInChI=1S/C17H29OSi.Li/c1-16(2,3)13-11-10-12-14(17(4,5)6)15(13)18-19(7,8)9;/h11-12H,1-9H3;/q-1;+1
InChIKeyABHDOPHFIKQJRC-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane?
The IUPAC name of lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane (CID 11335111) is lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane.
What is the SMILES notation for lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane?
The canonical SMILES for lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane is CC(C)(C)c1c[c-]cc(C(C)(C)C)c1O[Si](C)(C)C.[Li+].
What is the InChIKey of lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane?
The InChIKey is ABHDOPHFIKQJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29OSi.Li/c1-16(2,3)13-11-10-12-14(17(4,5)6)15(13)18-19(7,8)9;/h11-12H,1-9H3;/q-1;+1.
What are the key properties of lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane?
lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane has a molecular weight of 284.44 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-ditert-butylbenzene-4-id-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 11335111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).