tert-butyl-hexadec-15-ynoxy-dimethylsilane

C22H44OSi — CID 23073442

IUPACtert-butyl-hexadec-15-ynoxy-dimethylsilane
SMILESC#CCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h1H,8-21H2,2-6H3
InChIKeyXXDCBCDPYYPJIB-UHFFFAOYSA-N
MW352.68 g/mol
LogP7.71
Rot. Bonds15

About tert-butyl-hexadec-15-ynoxy-dimethylsilane

tert-butyl-hexadec-15-ynoxy-dimethylsilane (PubChem CID 23073442) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is tert-butyl-hexadec-15-ynoxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-hexadec-15-ynoxy-dimethylsilane
PubChem CID23073442
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Nametert-butyl-hexadec-15-ynoxy-dimethylsilane
SMILESC#CCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h1H,8-21H2,2-6H3
InChIKeyXXDCBCDPYYPJIB-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 57.71
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

tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-(7-iodohept-6-ynoxy)-dimethylsilane
CID 87614781
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
lithium tert-butyl-hex-5-ynoxy-dimethylsilane
CID 11009447
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
tert-butyl-(3-ethynoxypropoxy)-dimethylsilane
CID 176737355
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
11-[(2-methylpropan-2-yl)oxy]undec-1-yne
CID 15673920

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hexadec-15-ynoxy-dimethylsilane?
The IUPAC name of tert-butyl-hexadec-15-ynoxy-dimethylsilane (CID 23073442) is tert-butyl-hexadec-15-ynoxy-dimethylsilane.
What is the SMILES notation for tert-butyl-hexadec-15-ynoxy-dimethylsilane?
The canonical SMILES for tert-butyl-hexadec-15-ynoxy-dimethylsilane is C#CCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hexadec-15-ynoxy-dimethylsilane?
The InChIKey is XXDCBCDPYYPJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h1H,8-21H2,2-6H3.
What are the key properties of tert-butyl-hexadec-15-ynoxy-dimethylsilane?
tert-butyl-hexadec-15-ynoxy-dimethylsilane has a molecular weight of 352.68 g/mol, XLogP of 7.71, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hexadec-15-ynoxy-dimethylsilane is sourced from PubChem (CID 23073442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).