3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane

C21H32Si — CID 102280503

IUPAC3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane
SMILESC=Cc1ccccc1C(C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H32Si/c1-9-20-12-10-11-13-21(20)19(8)14-15-22(16(2)3,17(4)5)18(6)7/h9-13,16-19H,1H2,2-8H3
InChIKeyJULRAOOWZOKOIY-UHFFFAOYSA-N
MW312.57 g/mol
LogP6.65
Rot. Bonds5

About 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane

3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane (PubChem CID 102280503) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane
PubChem CID102280503
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Name3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane
SMILESC=Cc1ccccc1C(C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H32Si/c1-9-20-12-10-11-13-21(20)19(8)14-15-22(16(2)3,17(4)5)18(6)7/h9-13,16-19H,1H2,2-8H3
InChIKeyJULRAOOWZOKOIY-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.65
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-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane (CID 102280503) is 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane is C=Cc1ccccc1C(C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is JULRAOOWZOKOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si/c1-9-20-12-10-11-13-21(20)19(8)14-15-22(16(2)3,17(4)5)18(6)7/h9-13,16-19H,1H2,2-8H3.
What are the key properties of 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane?
3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 312.57 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenylphenyl)but-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102280503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).