tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane

C14H28OSi — CID 138977199

IUPACtert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane
SMILESC#C[C@H](CC)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-8-13(9-2)11-10-12-15-16(6,7)14(3,4)5/h1,13H,9-12H2,2-7H3/t13-/m1/s1
InChIKeyZJYQBERIVBFHTQ-CYBMUJFWSA-N
MW240.46 g/mol
LogP4.45
Rot. Bonds6

About tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane

tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane (PubChem CID 138977199) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane
PubChem CID138977199
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Nametert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane
SMILESC#C[C@H](CC)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-8-13(9-2)11-10-12-15-16(6,7)14(3,4)5/h1,13H,9-12H2,2-7H3/t13-/m1/s1
InChIKeyZJYQBERIVBFHTQ-CYBMUJFWSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-1-diisopropylsilyloxyhexane
CID 6329056
tert-butyl-dimethyl-[(3S)-3-methylhept-6-ynoxy]silane
CID 10705243
[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane
CID 11402942
Tert-butyl-(2-ethynylcyclopentyl)oxy-dimethylsilane
CID 12630484
Tert-butyl-dimethyl-(2-methylhept-6-ynoxy)silane
CID 72961047
tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
CID 134844756
[(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane
CID 134845952
tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane
CID 134860931
tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane
CID 162397382
tert-Butyl(((2S,4R)-2,4-dimethylhept-5-yn-1-yl)oxy)dimethylsilane
CID 164887760
1-Hexanol, 3-methyl, TMS
CID 523959
2-Ethyl-1-dimethyl(isopropyl)silyloxyhexane
CID 554810

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane (CID 138977199) is tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane is C#C[C@H](CC)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane?
The InChIKey is ZJYQBERIVBFHTQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28OSi/c1-8-13(9-2)11-10-12-15-16(6,7)14(3,4)5/h1,13H,9-12H2,2-7H3/t13-/m1/s1.
What are the key properties of tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R)-4-ethylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 138977199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).