1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone

C19H28OSi — CID 11162394

IUPAC1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C19H28OSi/c1-14(2)21(15(3)4,16(5)6)13-12-18-8-10-19(11-9-18)17(7)20/h8-11,14-16H,1-7H3
InChIKeyVLYPKFYUCYQSEN-UHFFFAOYSA-N
MW300.52 g/mol
LogP5.46
Rot. Bonds4

About 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone

1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone (PubChem CID 11162394) has the molecular formula C19H28OSi and a molecular weight of 300.52 g/mol. Its IUPAC name is 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone
PubChem CID11162394
Molecular FormulaC19H28OSi
Molecular Weight300.52 g/mol
Exact Mass300.19
IUPAC Name1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C19H28OSi/c1-14(2)21(15(3)4,16(5)6)13-12-18-8-10-19(11-9-18)17(7)20/h8-11,14-16H,1-7H3
InChIKeyVLYPKFYUCYQSEN-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone (CID 11162394) is 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone is CC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone?
The InChIKey is VLYPKFYUCYQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OSi/c1-14(2)21(15(3)4,16(5)6)13-12-18-8-10-19(11-9-18)17(7)20/h8-11,14-16H,1-7H3.
What are the key properties of 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone?
1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone has a molecular weight of 300.52 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethanone is sourced from PubChem (CID 11162394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).