lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane

C12H25LiOSi — CID 134895891

IUPAClithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane
SMILES[CH2-][C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C12H25OSi.Li/c1-10-8-7-9-11(10)13-14(5,6)12(2,3)4;/h10-11H,1,7-9H2,2-6H3;/q-1;+1/t10-,11+;/m1./s1
InChIKeyXNHKOBLZNQIQSE-DHXVBOOMSA-N
MW220.36 g/mol
LogP1.01
Rot. Bonds2

About lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane

lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane (PubChem CID 134895891) has the molecular formula C12H25LiOSi and a molecular weight of 220.36 g/mol. Its IUPAC name is lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane
PubChem CID134895891
Molecular FormulaC12H25LiOSi
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Namelithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane
SMILES[CH2-][C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C12H25OSi.Li/c1-10-8-7-9-11(10)13-14(5,6)12(2,3)4;/h10-11H,1,7-9H2,2-6H3;/q-1;+1/t10-,11+;/m1./s1
InChIKeyXNHKOBLZNQIQSE-DHXVBOOMSA-N
XLogP1.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.01
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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Related Compounds

trans-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]methyl]cyclopentan-1-ol
CID 10900013
trimethyl-[(1R,2S)-2-methylcyclopentyl]oxysilane
CID 11365831
Tert-butyl-(2-ethynylcyclopentyl)oxy-dimethylsilane
CID 12630484
trimethyl-[(1R,2R)-2-methylcyclopentyl]oxysilane
CID 12670197
Dilithium;3-(trimethylsilylmethyl)cyclopentan-1-olate
CID 135043509
[(1R,2R,5S)-2-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane
CID 135060358
trimethyl-[(1S,5R)-2,2,5-trimethylcyclopentyl]oxysilane
CID 139265873
trimethyl-[(1S,5S)-2,2,5-trimethylcyclopentyl]oxysilane
CID 139265874
tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane
CID 164683902
Z-2-Hydroxymethylcyclopentanol, di(trimethylsilyl) ether
CID 552456
1-Ethyl-1-(1-cyclopentylethyloxy)-1-silacyclopentane
CID 568263
1-Cyclopentylethyl tributylsilyl ether
CID 568687

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane?
The IUPAC name of lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane (CID 134895891) is lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane is [CH2-][C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane?
The InChIKey is XNHKOBLZNQIQSE-DHXVBOOMSA-N. The full InChI is InChI=1S/C12H25OSi.Li/c1-10-8-7-9-11(10)13-14(5,6)12(2,3)4;/h10-11H,1,7-9H2,2-6H3;/q-1;+1/t10-,11+;/m1./s1.
What are the key properties of lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane?
lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane has a molecular weight of 220.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(1S,2R)-2-methanidylcyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 134895891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).