2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane

C18H28Si — CID 12009447

IUPAC2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane
SMILESCc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H28Si/c1-14(2)19(15(3)4,16(5)6)13-12-18-10-8-17(7)9-11-18/h8-11,14-16H,1-7H3
InChIKeyLSLAJNNGPFVLII-UHFFFAOYSA-N
MW272.51 g/mol
LogP5.56
Rot. Bonds3

About 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane

2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane (PubChem CID 12009447) has the molecular formula C18H28Si and a molecular weight of 272.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane
PubChem CID12009447
Molecular FormulaC18H28Si
Molecular Weight272.51 g/mol
Exact Mass272.20
IUPAC Name2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane
SMILESCc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H28Si/c1-14(2)19(15(3)4,16(5)6)13-12-18-10-8-17(7)9-11-18/h8-11,14-16H,1-7H3
InChIKeyLSLAJNNGPFVLII-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.51
LogP ≤ 55.56
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-methylphenyl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane (CID 12009447) is 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane is Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is LSLAJNNGPFVLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Si/c1-14(2)19(15(3)4,16(5)6)13-12-18-10-8-17(7)9-11-18/h8-11,14-16H,1-7H3.
What are the key properties of 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane?
2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 272.51 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 12009447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).