tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane

C22H36O5Si — CID 58324093

IUPACtert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
SMILESC#Cc1ccc(OCCOCCOCCOCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H36O5Si/c1-7-20-8-10-21(11-9-20)26-18-16-24-14-12-23-13-15-25-17-19-27-28(5,6)22(2,3)4/h1,8-11H,12-19H2,2-6H3
InChIKeyDVVCARKCVOHOBQ-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.12
Rot. Bonds14

About tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane

tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane (PubChem CID 58324093) has the molecular formula C22H36O5Si and a molecular weight of 408.61 g/mol. Its IUPAC name is tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
PubChem CID58324093
Molecular FormulaC22H36O5Si
Molecular Weight408.61 g/mol
Exact Mass408.23
IUPAC Nametert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
SMILESC#Cc1ccc(OCCOCCOCCOCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H36O5Si/c1-7-20-8-10-21(11-9-20)26-18-16-24-14-12-23-13-15-25-17-19-27-28(5,6)22(2,3)4/h1,8-11H,12-19H2,2-6H3
InChIKeyDVVCARKCVOHOBQ-UHFFFAOYSA-N
XLogP4.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-[2-[4-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethynyl]aniline
CID 16659289
1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol
CID 164811356
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane
CID 168866865
4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
CID 140511057
tert-butyl-dimethyl-[2-[2-(3-methylphenoxy)ethoxy]ethoxy]silane
CID 141377156
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-1-(4-decoxyphenyl)prop-2-yn-1-ol
CID 155790029
1-[2-(2-butoxyethoxy)ethoxy]-4-[2-(4-ethynylphenyl)ethynyl]benzene
CID 23626178
trimethyl-[2-[2-[2-[4-[2-[4-[2-[2-(2-trimethylsilyloxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]silane
CID 6421145
tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
CID 178155414

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane (CID 58324093) is tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane is C#Cc1ccc(OCCOCCOCCOCCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane?
The InChIKey is DVVCARKCVOHOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O5Si/c1-7-20-8-10-21(11-9-20)26-18-16-24-14-12-23-13-15-25-17-19-27-28(5,6)22(2,3)4/h1,8-11H,12-19H2,2-6H3.
What are the key properties of tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane?
tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane has a molecular weight of 408.61 g/mol, XLogP of 4.12, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane is sourced from PubChem (CID 58324093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).