tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane

C17H30O3Si — CID 22032995

IUPACtert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
SMILESCCCOc1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30O3Si/c1-7-12-18-15-8-10-16(11-9-15)19-13-14-20-21(5,6)17(2,3)4/h8-11H,7,12-14H2,1-6H3
InChIKeyQADNUHZHBGKKKQ-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.88
Rot. Bonds8

About tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane

tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane (PubChem CID 22032995) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
PubChem CID22032995
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nametert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
SMILESCCCOc1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30O3Si/c1-7-12-18-15-8-10-16(11-9-15)19-13-14-20-21(5,6)17(2,3)4/h8-11H,7,12-14H2,1-6H3
InChIKeyQADNUHZHBGKKKQ-UHFFFAOYSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
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-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
CID 58324093
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-1-(4-decoxyphenyl)prop-2-yn-1-ol
CID 155790029
4-[2-[4-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethynyl]aniline
CID 16659289
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
CID 140511057
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
tert-butyl-dimethyl-[2-[2-(3-methylphenoxy)ethoxy]ethoxy]silane
CID 141377156
[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-pyridinyl]methanol
CID 168916688
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane (CID 22032995) is tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane is CCCOc1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane?
The InChIKey is QADNUHZHBGKKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-7-12-18-15-8-10-16(11-9-15)19-13-14-20-21(5,6)17(2,3)4/h8-11H,7,12-14H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane?
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane has a molecular weight of 310.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane is sourced from PubChem (CID 22032995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).