trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane

C17H25NO2Si — CID 152546731

IUPACtrimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane
SMILESC[Si](C)(C)C#COc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C17H25NO2Si/c1-21(2,3)15-14-20-17-8-6-16(7-9-17)19-13-12-18-10-4-5-11-18/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYMQGSRSBYIQJSL-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.38
Rot. Bonds5

About trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane

trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane (PubChem CID 152546731) has the molecular formula C17H25NO2Si and a molecular weight of 303.48 g/mol. Its IUPAC name is trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane
PubChem CID152546731
Molecular FormulaC17H25NO2Si
Molecular Weight303.48 g/mol
Exact Mass303.17
IUPAC Nametrimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane
SMILESC[Si](C)(C)C#COc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C17H25NO2Si/c1-21(2,3)15-14-20-17-8-6-16(7-9-17)19-13-12-18-10-4-5-11-18/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYMQGSRSBYIQJSL-UHFFFAOYSA-N
XLogP3.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopropyl]phenoxy]ethyl]pyrrolidine;dihydrochloride
CID 70394734

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane (CID 152546731) is trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane is C[Si](C)(C)C#COc1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane?
The InChIKey is YMQGSRSBYIQJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2Si/c1-21(2,3)15-14-20-17-8-6-16(7-9-17)19-13-12-18-10-4-5-11-18/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane?
trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane has a molecular weight of 303.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]ethynyl]silane is sourced from PubChem (CID 152546731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).