lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane

C13H23LiO2Si — CID 10514595

IUPAClithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
SMILES[C-]#C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C13H23O2Si.Li/c1-7-11-12(9-8-10-14-11)15-16(5,6)13(2,3)4;/h11-12H,8-10H2,2-6H3;/q-1;+1/t11-,12+;/m1./s1
InChIKeySGIOZTXGXLRMPU-LYCTWNKOSA-N
MW246.35 g/mol
LogP0.15
Rot. Bonds2

About lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane

lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane (PubChem CID 10514595) has the molecular formula C13H23LiO2Si and a molecular weight of 246.35 g/mol. Its IUPAC name is lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
PubChem CID10514595
Molecular FormulaC13H23LiO2Si
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namelithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
SMILES[C-]#C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C13H23O2Si.Li/c1-7-11-12(9-8-10-14-11)15-16(5,6)13(2,3)4;/h11-12H,8-10H2,2-6H3;/q-1;+1/t11-,12+;/m1./s1
InChIKeySGIOZTXGXLRMPU-LYCTWNKOSA-N
XLogP0.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane
CID 54753890
tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
CID 139247738
tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514596
Trimethyl-[3-(oxan-3-yloxy)but-1-ynyl]silane
CID 20347245
Trimethyl-[3-(oxan-3-yloxy)prop-1-ynyl]silane
CID 20442079
tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57251271
tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane
CID 139770400
tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
CID 150504388
Tert-butyl-dimethyl-[2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
CID 173780798
tert-butyl-dimethyl-[[(2S)-oxan-2-yl]methoxy]silane
CID 173794813
triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane
CID 10660760
tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane
CID 10890472

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane (CID 10514595) is lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane is [C-]#C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is SGIOZTXGXLRMPU-LYCTWNKOSA-N. The full InChI is InChI=1S/C13H23O2Si.Li/c1-7-11-12(9-8-10-14-11)15-16(5,6)13(2,3)4;/h11-12H,8-10H2,2-6H3;/q-1;+1/t11-,12+;/m1./s1.
What are the key properties of lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane?
lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 246.35 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10514595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).