2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane

C25H39NO4Si — CID 102520015

IUPAC2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1cc(OCCOCCOCCOC)cc(C#C[Si](C(C)C)(C(C)C)C(C)C)n1
InChIInChI=1S/C25H39NO4Si/c1-9-23-18-25(30-16-15-29-14-13-28-12-11-27-8)19-24(26-23)10-17-31(20(2)3,21(4)5)22(6)7/h1,18-22H,11-16H2,2-8H3
InChIKeyKRRACZHRPHRIMW-UHFFFAOYSA-N
MW445.68 g/mol
LogP4.69
Rot. Bonds13

About 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane

2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 102520015) has the molecular formula C25H39NO4Si and a molecular weight of 445.68 g/mol. Its IUPAC name is 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane
PubChem CID102520015
Molecular FormulaC25H39NO4Si
Molecular Weight445.68 g/mol
Exact Mass445.26
IUPAC Name2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1cc(OCCOCCOCCOC)cc(C#C[Si](C(C)C)(C(C)C)C(C)C)n1
InChIInChI=1S/C25H39NO4Si/c1-9-23-18-25(30-16-15-29-14-13-28-12-11-27-8)19-24(26-23)10-17-31(20(2)3,21(4)5)22(6)7/h1,18-22H,11-16H2,2-8H3
InChIKeyKRRACZHRPHRIMW-UHFFFAOYSA-N
XLogP4.69
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.68
LogP ≤ 54.69
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

tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane
CID 53255130
[(2S)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propan-2-yl] 3-azido-5-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]triazol-1-yl]benzoate
CID 102520018
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-(2-trimethylsilylethynyl)-5-[2-tri(propan-2-yl)silylethynyl]benzoate
CID 11628096
2-[3-[2-(4-ethynylphenyl)ethynyl]-5-hexoxyphenyl]ethynyl-tri(propan-2-yl)silane
CID 101252048
2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 11135721
4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
CID 104560013
2-(13-ethynylpentacen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 102307090
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate
CID 11607886
5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine
CID 104568332
2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 10653117
[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
CID 102421816

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane (CID 102520015) is 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane is C#Cc1cc(OCCOCCOCCOC)cc(C#C[Si](C(C)C)(C(C)C)C(C)C)n1.
What is the InChIKey of 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is KRRACZHRPHRIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO4Si/c1-9-23-18-25(30-16-15-29-14-13-28-12-11-27-8)19-24(26-23)10-17-31(20(2)3,21(4)5)22(6)7/h1,18-22H,11-16H2,2-8H3.
What are the key properties of 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane?
2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 445.68 g/mol, XLogP of 4.69, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102520015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).