3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane

C18H24Cl2Si2 — CID 155761027

IUPAC3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCc1cc(Cl)c(Cl)cc1CC#C[Si](C)(C)C
InChIInChI=1S/C18H24Cl2Si2/c1-21(2,3)11-7-9-15-13-17(19)18(20)14-16(15)10-8-12-22(4,5)6/h13-14H,9-10H2,1-6H3
InChIKeyOZWGEBBUGSWMOC-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.84
Rot. Bonds2

About 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane

3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane (PubChem CID 155761027) has the molecular formula C18H24Cl2Si2 and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane
PubChem CID155761027
Molecular FormulaC18H24Cl2Si2
Molecular Weight367.47 g/mol
Exact Mass366.08
IUPAC Name3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCc1cc(Cl)c(Cl)cc1CC#C[Si](C)(C)C
InChIInChI=1S/C18H24Cl2Si2/c1-21(2,3)11-7-9-15-13-17(19)18(20)14-16(15)10-8-12-22(4,5)6/h13-14H,9-10H2,1-6H3
InChIKeyOZWGEBBUGSWMOC-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane (CID 155761027) is 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane is C[Si](C)(C)C#CCc1cc(Cl)c(Cl)cc1CC#C[Si](C)(C)C.
What is the InChIKey of 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane?
The InChIKey is OZWGEBBUGSWMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2Si2/c1-21(2,3)11-7-9-15-13-17(19)18(20)14-16(15)10-8-12-22(4,5)6/h13-14H,9-10H2,1-6H3.
What are the key properties of 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane?
3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane has a molecular weight of 367.47 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-dichloro-2-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 155761027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).