2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane

C19H29BrSi — CID 102431450

IUPAC2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane
SMILESCc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C)cc1Br
InChIInChI=1S/C19H29BrSi/c1-13(2)21(14(3)4,15(5)6)10-9-18-11-17(8)19(20)12-16(18)7/h11-15H,1-8H3
InChIKeyIXDPADSYZHEIGK-UHFFFAOYSA-N
MW365.43 g/mol
LogP6.64
Rot. Bonds3

About 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane

2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane (PubChem CID 102431450) has the molecular formula C19H29BrSi and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane
PubChem CID102431450
Molecular FormulaC19H29BrSi
Molecular Weight365.43 g/mol
Exact Mass364.12
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane
SMILESCc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C)cc1Br
InChIInChI=1S/C19H29BrSi/c1-13(2)21(14(3)4,15(5)6)10-9-18-11-17(8)19(20)12-16(18)7/h11-15H,1-8H3
InChIKeyIXDPADSYZHEIGK-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 56.64
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 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane (CID 102431450) is 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane is Cc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is IXDPADSYZHEIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrSi/c1-13(2)21(14(3)4,15(5)6)10-9-18-11-17(8)19(20)12-16(18)7/h11-15H,1-8H3.
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane?
2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 365.43 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102431450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).