lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane

C15H27LiOSi — CID 18604168

IUPAClithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane
SMILES[C-]#C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+]
InChIInChI=1S/C15H27OSi.Li/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4;/h13-14H,8-12H2,2-6H3;/q-1;+1/t14-;/m1./s1
InChIKeyDSHMUIGDRBYADZ-PFEQFJNWSA-N
MW258.41 g/mol
LogP1.55
Rot. Bonds3

About lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane

lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane (PubChem CID 18604168) has the molecular formula C15H27LiOSi and a molecular weight of 258.41 g/mol. Its IUPAC name is lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane
PubChem CID18604168
Molecular FormulaC15H27LiOSi
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Namelithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane
SMILES[C-]#C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+]
InChIInChI=1S/C15H27OSi.Li/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4;/h13-14H,8-12H2,2-6H3;/q-1;+1/t14-;/m1./s1
InChIKeyDSHMUIGDRBYADZ-PFEQFJNWSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.55
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane?
The IUPAC name of lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane (CID 18604168) is lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane is [C-]#C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.[Li+].
What is the InChIKey of lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane?
The InChIKey is DSHMUIGDRBYADZ-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H27OSi.Li/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4;/h13-14H,8-12H2,2-6H3;/q-1;+1/t14-;/m1./s1.
What are the key properties of lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane?
lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane has a molecular weight of 258.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(1S)-1-cyclohexylprop-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 18604168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).