2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

C22H34O2Si2 — CID 11132838

IUPAC2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESCCCOc1cc(C#C[Si](C)(C)C)c(OCCC)cc1C#C[Si](C)(C)C
InChIInChI=1S/C22H34O2Si2/c1-9-13-23-21-17-20(12-16-26(6,7)8)22(24-14-10-2)18-19(21)11-15-25(3,4)5/h17-18H,9-10,13-14H2,1-8H3
InChIKeyLDHLEQNSIGUIKI-UHFFFAOYSA-N
MW386.68 g/mol
LogP5.72
Rot. Bonds6

About 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (PubChem CID 11132838) has the molecular formula C22H34O2Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
PubChem CID11132838
Molecular FormulaC22H34O2Si2
Molecular Weight386.68 g/mol
Exact Mass386.21
IUPAC Name2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESCCCOc1cc(C#C[Si](C)(C)C)c(OCCC)cc1C#C[Si](C)(C)C
InChIInChI=1S/C22H34O2Si2/c1-9-13-23-21-17-20(12-16-26(6,7)8)22(24-14-10-2)18-19(21)11-15-25(3,4)5/h17-18H,9-10,13-14H2,1-8H3
InChIKeyLDHLEQNSIGUIKI-UHFFFAOYSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,5-didodecoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 25231751
2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane
CID 102073656
2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 11135721
1-[2-(2,5-dipropoxyphenyl)ethynyl]-4-[2-[4-[2-(2,5-dipropoxyphenyl)ethynyl]-2,5-dipropoxyphenyl]ethynyl]-2,5-dipropoxybenzene
CID 11828930
2-[4-[2-[4-[1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[2-[2,5-dipentoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethyl]phenyl]ethynyl]-2,5-dipentoxyphenyl]ethynyl-trimethylsilane
CID 102108776
trimethyl-[2-(3,4,5-tridodecoxyphenyl)ethynyl]silane
CID 71375964
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
2-[2-[4-[4,5-dioctoxy-2-[2-tri(propan-2-yl)silylethynyl]phenyl]buta-1,3-diynyl]-4,5-dioctoxyphenyl]ethynyl-tri(propan-2-yl)silane
CID 15528898
2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane
CID 102443793
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
4-[5-tert-butyl-2-[16-[4-tert-butyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenoxy]hexadecoxy]phenyl]buta-1,3-diynyl-trimethylsilane
CID 11600243
4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]pyridine
CID 139089318

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (CID 11132838) is 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is CCCOc1cc(C#C[Si](C)(C)C)c(OCCC)cc1C#C[Si](C)(C)C.
What is the InChIKey of 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is LDHLEQNSIGUIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2Si2/c1-9-13-23-21-17-20(12-16-26(6,7)8)22(24-14-10-2)18-19(21)11-15-25(3,4)5/h17-18H,9-10,13-14H2,1-8H3.
What are the key properties of 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 386.68 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 11132838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).