lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane

C20H25LiOSi — CID 10448479

IUPAClithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C-]=C(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C20H25OSi.Li/c1-20(2,3)22(4,5)21-16-19(17-12-8-6-9-13-17)18-14-10-7-11-15-18;/h6-15H,1-5H3;/q-1;+1
InChIKeyROEIBLZJMFZQHM-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.90
Rot. Bonds4

About lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane

lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane (PubChem CID 10448479) has the molecular formula C20H25LiOSi and a molecular weight of 316.45 g/mol. Its IUPAC name is lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane
PubChem CID10448479
Molecular FormulaC20H25LiOSi
Molecular Weight316.45 g/mol
Exact Mass316.18
IUPAC Namelithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C-]=C(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C20H25OSi.Li/c1-20(2,3)22(4,5)21-16-19(17-12-8-6-9-13-17)18-14-10-7-11-15-18;/h6-15H,1-5H3;/q-1;+1
InChIKeyROEIBLZJMFZQHM-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane
CID 177390908
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
CID 100917085
tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
CID 10358065
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
tert-butyl-dimethyl-[(Z)-1-phenyl-2-(trifluoromethoxy)ethenoxy]silane
CID 135012556
4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol
CID 71416847
lithium (2-fluoro-1-phenylethenyl)benzene
CID 10655788
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate
CID 11110923
(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane
CID 13293861

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane?
The IUPAC name of lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane (CID 10448479) is lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane?
The canonical SMILES for lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)O[C-]=C(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane?
The InChIKey is ROEIBLZJMFZQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25OSi.Li/c1-20(2,3)22(4,5)21-16-19(17-12-8-6-9-13-17)18-14-10-7-11-15-18;/h6-15H,1-5H3;/q-1;+1.
What are the key properties of lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane?
lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane has a molecular weight of 316.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane is sourced from PubChem (CID 10448479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).